This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aphidicolin
- DrugBank Accession Number
- DB17742
- Background
Aphidicolin is an antimitotic and antiviral metabolite of the mould Cephalosporium aphidicola. It inhibits DNA polymerase alpha and blocks DNA replication.1,2
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Aphidicolin (DB17742)
- Weight
- Average: 338.488
Monoisotopic: 338.245709575 - Chemical Formula
- C20H34O4
- Synonyms
- (+)-aphidicolin
- 8,11a-methano-11ah-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3r,4r,4ar,6as,8r,9r,11as,11bs)-
- 9,15-cyclo-c,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3.alpha.,4.alpha.,5.alpha.,17.alpha.)-
- External IDs
- ICI-69653
- NSC-234714
Pharmacology
- Indication
Not Available
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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.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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 192TJ6PP19
- CAS number
- 38966-21-1
- InChI Key
- NOFOAYPPHIUXJR-APNQCZIXSA-N
- InChI
- InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19-,20-/m0/s1
- IUPAC Name
- (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0^{1,10}.0^{2,7}]hexadecane-5,13-diol
- SMILES
- [H][C@]12C[C@@H]3C[C@]1(CC[C@]3(O)CO)[C@@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@]1([H])CC2
References
- General References
- Waters R: Aphidicolin: an inhibitor of DNA repair in human fibroblasts. Carcinogenesis. 1981;2(8):795-7. doi: 10.1093/carcin/2.8.795. [Article]
- Baranovskiy AG, Babayeva ND, Suwa Y, Gu J, Pavlov YI, Tahirov TH: Structural basis for inhibition of DNA replication by aphidicolin. Nucleic Acids Res. 2014 Dec 16;42(22):14013-21. doi: 10.1093/nar/gku1209. Epub 2014 Nov 27. [Article]
- External Links
- ChemSpider
- 10280269
- BindingDB
- 50090910
- ChEBI
- 2766
- ChEMBL
- CHEMBL29711
- ZINC
- ZINC000003789195
- PDBe Ligand
- 2ZE
- Wikipedia
- Aphidicolin
- PDB Entries
- 4q5v
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 1.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 80.92 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 92.38 m3·mol-1 Chemaxon Polarizability 38.67 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 03, 2023 16:55 / Updated at May 04, 2023 06:06