NAV

VMD-928

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
3D
Similar Structures
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
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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
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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
ChemSpider
127434515
BindingDB
50510995
ChEMBL
CHEMBL4556229
PDBe Ligand
AQ6
PDB Entries
6iqn

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentAdenoid 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 Carcinoma1

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
PropertyValueSource
logP4.16Chemaxon
pKa (Strongest Acidic)4.65Chemaxon
pKa (Strongest Basic)9.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area115.97 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity153.09 m3·mol-1Chemaxon
Polarizability58.44 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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