VB-313
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- VB-313
- DrugBank Accession Number
- DB18541
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 963.033
Monoisotopic: 962.435873894 - Chemical Formula
- C45H70O22
- Synonyms
- Not Available
- External IDs
- VB 313
- VB-313
- VB313
Pharmacology
- Indication
Not Available
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- 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. 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
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.
- Active Moieties
Name Kind UNII CAS InChI Key Dronabinol prodrug 7J8897W37S 1972-08-3 CYQFCXCEBYINGO-IAGOWNOFSA-N
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VFD5BFU5ZG
- CAS number
- 2699021-79-7
- InChI Key
- MFUKFDWBLGEBFH-PBFRVRAZSA-N
- InChI
- InChI=1S/C45H70O22/c1-5-6-7-8-19-12-22(28-20-11-18(2)9-10-21(20)45(3,4)67-23(28)13-19)60-42-37(57)34(54)39(27(64-42)17-59-41-35(55)32(52)29(49)24(14-46)61-41)65-44-38(58)40(31(51)26(16-48)63-44)66-43-36(56)33(53)30(50)25(15-47)62-43/h11-13,20-21,24-27,29-44,46-58H,5-10,14-17H2,1-4H3/t20-,21-,24+,25+,26+,27+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,39+,40-,41+,42+,43-,44+/m0/s1
- IUPAC Name
- (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl]oxy}-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- SMILES
- [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@@H]3[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](OC4=CC(CCCCC)=CC5=C4[C@]4([H])C=C(C)CC[C@@]4([H])C(C)(C)O5)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- Not Available
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 -1.6 Chemaxon pKa (Strongest Acidic) 11.67 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 22 Chemaxon Hydrogen Donor Count 13 Chemaxon Polar Surface Area 346.06 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 226.12 m3·mol-1 Chemaxon Polarizability 99.91 Å3 Chemaxon Number of Rings 7 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 28, 2023 20:03 / Updated at February 05, 2024 00:29