This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Squalamine
- DrugBank Accession Number
- DB06461
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Squalamine (DB06461)
- Weight
- Average: 627.97
Monoisotopic: 627.464493379 - Chemical Formula
- C34H65N3O5S
- Synonyms
- Squalamine
- External IDs
- MSI-1246
Pharmacology
- Indication
Investigated for use/treatment in ovarian cancer, lung cancer, and macular degeneration.
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AVascular endothelial growth factor C modulatorHumans AVascular endothelial growth factor D modulatorHumans AFibroblast growth factor 2 modulatorHumans APlatelet-derived growth factor subunit A inhibitorHumans AVascular endothelial growth factor A, long form modulatorHumans AVascular endothelial growth factor B modulatorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The risk or severity of bleeding can be increased when Squalamine is combined with Acenocoumarol. Alendronic acid The risk or severity of jaw osteonecrosis and anti-angiogenesis can be increased when Squalamine is combined with Alendronic acid. Ambroxol The risk or severity of methemoglobinemia can be increased when Squalamine is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Squalamine is combined with Articaine. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Squalamine. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Squalamine lactate 4WE915J1KX 320725-47-1 ZPYIELFRIYUVQP-BHBJEIPNSA-N - International/Other Brands
- Evizon
Categories
- Drug Categories
- Angiogenesis Inhibitors
- Angiogenesis Modulating Agents
- Anti-Bacterial Agents
- Anti-Infective Agents
- Anticarcinogenic Agents
- Antineoplastic Agents
- Cholestanes
- Compounds used in a research, industrial, or household setting
- Fused-Ring Compounds
- Growth Inhibitors
- Growth Substances
- Hydroxy Acids
- Protective Agents
- Steroids
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Bile acids, alcohols and derivatives
- Direct Parent
- Monohydroxy bile acids, alcohols and derivatives
- Alternative Parents
- Pregnane-type alkaloids / 7-hydroxysteroids / Azasteroids and derivatives / Sulfated steroids / Alkaloids and derivatives / Sulfuric acid monoesters / Alkyl sulfates / Secondary alcohols / Cyclic alcohols and derivatives / Dialkylamines show 4 more
- Substituents
- 7-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Alkaloid or derivatives / Alkyl sulfate / Amine / Azasteroid / Cyclic alcohol / Hydrocarbon derivative / Hydroxysteroid show 19 more
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- bile acid (CHEBI:80765) / Marine nature products (C16841)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F8PO54Z4V7
- CAS number
- 148717-90-2
- InChI Key
- UIRKNQLZZXALBI-MSVGPLKSSA-N
- InChI
- InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
- IUPAC Name
- {[(3R,6R)-6-[(1S,2S,5S,7R,9R,10R,11S,14R,15R)-5-({3-[(4-aminobutyl)amino]propyl}amino)-9-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptan-3-yl]oxy}sulfonic acid
- SMILES
- CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(O)(=O)=O
References
- General References
- Williams JI, Weitman S, Gonzalez CM, Jundt CH, Marty J, Stringer SD, Holroyd KJ, Mclane MP, Chen Q, Zasloff M, Von Hoff DD: Squalamine treatment of human tumors in nu/nu mice enhances platinum-based chemotherapies. Clin Cancer Res. 2001 Mar;7(3):724-33. [Article]
- External Links
- KEGG Compound
- C16841
- ChemSpider
- 65407
- ChEBI
- 80765
- ChEMBL
- CHEMBL444929
- ZINC
- ZINC000030160243
- Wikipedia
- Squalamine
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Terminated Treatment Neovascular Age-Related Macular Degeneration (nAMD) 1 somestatus stop reason just information to hide 3 Unknown Status Treatment Age - Related Macular Degeneration (AMD) 1 somestatus stop reason just information to hide 2 Completed Treatment Neovascular Age-Related Macular Degeneration (nAMD) 1 somestatus stop reason just information to hide 2 Completed Treatment Retinal Neovascularization 1 somestatus stop reason just information to hide 2 Terminated Not Available Macular Degeneration 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000169 mg/mL ALOGPS logP 2.48 ALOGPS logP 3.24 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) -1.3 Chemaxon pKa (Strongest Basic) 10.89 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 133.91 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 174.42 m3·mol-1 Chemaxon Polarizability 77.15 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 263.5108474 predictedDarkChem Lite v0.1.0 [M-H]- 254.41911 predictedDeepCCS 1.0 (2019) [M+H]+ 261.6115474 predictedDarkChem Lite v0.1.0 [M+H]+ 256.1108 predictedDeepCCS 1.0 (2019) [M+Na]+ 263.2121474 predictedDarkChem Lite v0.1.0 [M+Na]+ 262.26764 predictedDeepCCS 1.0 (2019)
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Growth factor active in angiogenesis, and endothelial cell growth, stimulating their proliferation and migration and also has effects on the permeability of blood vessels. May function in angiogenesis of the venous and lymphatic vascular systems during embryogenesis, and also in the maintenance of differentiated lymphatic endothelium in adults. Binds and activates KDR/VEGFR2 and FLT4/VEGFR3 receptors.
- Specific Function
- chemoattractant activity
- Gene Name
- VEGFC
- Uniprot ID
- P49767
- Uniprot Name
- Vascular endothelial growth factor C
- Molecular Weight
- 46882.92 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Growth factor active in angiogenesis, lymphangiogenesis and endothelial cell growth, stimulating their proliferation and migration and also has effects on the permeability of blood vessels. May function in the formation of the venous and lymphatic vascular systems during embryogenesis, and also in the maintenance of differentiated lymphatic endothelium in adults. Binds and activates VEGFR-2 (KDR/FLK1) and VEGFR-3 (FLT4) receptors.
- Specific Function
- chemoattractant activity
- Gene Name
- VEGFD
- Uniprot ID
- O43915
- Uniprot Name
- Vascular endothelial growth factor D
- Molecular Weight
- 40443.985 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Acts as a ligand for FGFR1, FGFR2, FGFR3 and FGFR4 (PubMed:8663044). Also acts as an integrin ligand which is required for FGF2 signaling (PubMed:28302677). Binds to integrin ITGAV:ITGB3 (PubMed:28302677). Plays an important role in the regulation of cell survival, cell division, cell differentiation and cell migration (PubMed:28302677, PubMed:8663044). Functions as a potent mitogen in vitro (PubMed:1721615, PubMed:3732516, PubMed:3964259). Can induce angiogenesis (PubMed:23469107, PubMed:28302677). Mediates phosphorylation of ERK1/2 and thereby promotes retinal lens fiber differentiation (PubMed:29501879).
- Specific Function
- chemoattractant activity
- Gene Name
- FGF2
- Uniprot ID
- P09038
- Uniprot Name
- Fibroblast growth factor 2
- Molecular Weight
- 30769.715 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Growth factor that plays an essential role in the regulation of embryonic development, cell proliferation, cell migration, survival and chemotaxis. Potent mitogen for cells of mesenchymal origin. Required for normal lung alveolar septum formation during embryogenesis, normal development of the gastrointestinal tract, normal development of Leydig cells and spermatogenesis. Required for normal oligodendrocyte development and normal myelination in the spinal cord and cerebellum. Plays an important role in wound healing. Signaling is modulated by the formation of heterodimers with PDGFB (By similarity).
- Specific Function
- collagen binding
- Gene Name
- PDGFA
- Uniprot ID
- P04085
- Uniprot Name
- Platelet-derived growth factor subunit A
- Molecular Weight
- 24042.68 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- N-VEGF Participates in the induction of key genes involved in the response to hypoxia and in the induction of angiogenesis such as HIF1A (PubMed:35455969). Involved in protecting cells from hypoxia-mediated cell death (By similarity).
- Specific Function
- chemoattractant activity
- Gene Name
- VEGFA
- Uniprot ID
- P15692
- Uniprot Name
- Vascular endothelial growth factor A, long form
- Molecular Weight
- 43596.94 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Growth factor for endothelial cells. VEGF-B167 binds heparin and neuropilin-1 whereas the binding to neuropilin-1 of VEGF-B186 is regulated by proteolysis.
- Specific Function
- chemoattractant activity
- Gene Name
- VEGFB
- Uniprot ID
- P49765
- Uniprot Name
- Vascular endothelial growth factor B
- Molecular Weight
- 21601.56 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at March 19, 2008 16:34 / Updated at August 26, 2024 19:23