VMD-928
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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
- VMD-928
- DrugBank Accession Number
- DB18052
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 524.621
Monoisotopic: 524.242355526 - Chemical Formula
- C31H32N4O4
- Synonyms
- 4-((4-AMINO-3-(4-CYCLOHEXYLPIPERAZIN-1-YL)-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)AMINO)BENZOIC ACID
- 4-{[4-Amino-3-(4-cyclohexylpiperazin-1-yl)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzoic acid
- BENZOIC ACID, 4-((4-AMINO-3-(4-CYCLOHEXYL-1-PIPERAZINYL)-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)AMINO)-
- External IDs
- VMD 928
- VMD-928
- VMD928
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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1JT6DVS51P
- CAS number
- 1802770-18-8
- InChI Key
- YLGUWQFLCMWHDK-UHFFFAOYSA-N
- InChI
- InChI=1S/C31H32N4O4/c32-28-25(35-16-14-34(15-17-35)21-6-2-1-3-7-21)18-24(33-20-12-10-19(11-13-20)31(38)39)26-27(28)30(37)23-9-5-4-8-22(23)29(26)36/h4-5,8-13,18,21,33H,1-3,6-7,14-17,32H2,(H,38,39)
- IUPAC Name
- 4-{[4-amino-3-(4-cyclohexylpiperazin-1-yl)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzoic acid
- SMILES
- NC1=C(C=C(NC2=CC=C(C=C2)C(O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)N1CCN(CC1)C1CCCCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 127434515
- BindingDB
- 50510995
- ChEMBL
- CHEMBL4556229
- PDBe Ligand
- AQ6
- PDB Entries
- 6iqn
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Treatment Adenoid Cystic Carcinoma / Any Solid Tumors Progressed After a Prior Immunotherapy / Bladder Cancer / Breast Cancer / Carcinoma of the Head and Neck / Cervical Cancer / Lung Cancer / Mesothelioma / Non-Small Cell Lung Cancer (NSCLC) / Ovarian Cancer / Pancreatic Cancer / Sarcomas / Thymic Carcinoma 1
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 4.16 Chemaxon pKa (Strongest Acidic) 4.65 Chemaxon pKa (Strongest Basic) 9.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 115.97 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 153.09 m3·mol-1 Chemaxon Polarizability 58.44 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 08, 2023 20:13 / Updated at September 12, 2023 18:33