Kabiramide C
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Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Kabiramide C
- DrugBank Accession Number
- DB03616
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 946.1342
Monoisotopic: 945.531052133 - Chemical Formula
- C48H75N5O14
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UActin, alpha skeletal muscle Not Available Humans - 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Terpene lactones
- Direct Parent
- Diterpene lactones
- Alternative Parents
- Diterpenoids / Macrolides and analogues / Oxazoles / Heteroaromatic compounds / Carboxylic acid esters / Secondary alcohols / Ketones / Lactones / Orthocarboxylic acid derivatives / Oxacyclic compounds show 6 more
- Substituents
- Alcohol / Alkanolamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dialkyl ether / Diterpene lactone show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- XYKNXOJYKRVXBX-ZAUPHERQSA-N
- InChI
- InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1
- IUPAC Name
- (10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-amino(hydroxy)methoxy]-12-hydroxy-20-[(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxoundec-10-en-1-yl]-10,22-dimethoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1^{2,5}.1^{6,9}]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one
- SMILES
- [H]\C(=C(\[H])[C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@]([H])(C[C@]([H])(C)C[C@]([H])(O)[C@]([H])(C)[C@@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)O[C@]([H])(N)O)OC)N(C)CO
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5288658
- PubChem Substance
- 46505455
- ChemSpider
- 4450775
- ZINC
- ZINC000263621247
- PDBe Ligand
- KAB
- PDB Entries
- 1qz5 / 2q36 / 4k41
Clinical Trials
- Clinical Trials
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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 0.0231 mg/mL ALOGPS logP 3.68 ALOGPS logP 4.87 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 11.4 Chemaxon pKa (Strongest Basic) 7.6 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 257.56 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 268.12 m3·mol-1 Chemaxon Polarizability 102.16 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
Property Value Probability Human Intestinal Absorption + 0.8595 Blood Brain Barrier - 0.637 Caco-2 permeable - 0.6824 P-glycoprotein substrate Substrate 0.7613 P-glycoprotein inhibitor I Inhibitor 0.5098 P-glycoprotein inhibitor II Inhibitor 0.6951 Renal organic cation transporter Non-inhibitor 0.9275 CYP450 2C9 substrate Non-substrate 0.8357 CYP450 2D6 substrate Non-substrate 0.8279 CYP450 3A4 substrate Substrate 0.5543 CYP450 1A2 substrate Non-inhibitor 0.8054 CYP450 2C9 inhibitor Non-inhibitor 0.872 CYP450 2D6 inhibitor Non-inhibitor 0.8867 CYP450 2C19 inhibitor Non-inhibitor 0.8301 CYP450 3A4 inhibitor Non-inhibitor 0.5698 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9673 Ames test Non AMES toxic 0.6352 Carcinogenicity Non-carcinogens 0.8659 Biodegradation Not ready biodegradable 0.9663 Rat acute toxicity 2.6831 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.903 hERG inhibition (predictor II) Non-inhibitor 0.8607
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsActin, alpha skeletal muscle
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.
- Specific Function
- ADP binding
- Gene Name
- ACTA1
- Uniprot ID
- P68133
- Uniprot Name
- Actin, alpha skeletal muscle
- Molecular Weight
- 42050.67 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52