NAV

ABT-737

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
ABT-737
DrugBank Accession Number
DB17023
Background

An inhibitor of members of the Bcl‑2 family of apoptosis regulators.1

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 813.43
Monoisotopic: 812.2581386
Chemical Formula
C42H45ClN6O5S2
Synonyms
  • Benzamide, 4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)-1-piperazinyl)-n-((4-(((1r)-3-(dimethylamino)-1-((phenylthio)methyl)propyl)amino)-3-nitrophenyl)sulfonyl)-
External IDs
  • ABT 737
  • ABT-737
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Z5NFR173NV
CAS number
852808-04-9
InChI Key
HPLNQCPCUACXLM-PGUFJCEWSA-N
InChI
InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
IUPAC Name
4-[4-({4'-chloro-[1,1'-biphenyl]-2-yl}methyl)piperazin-1-yl]-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide
SMILES
CN(C)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(C=C1[N+]([O-])=O)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1

References

General References
  1. Cheng R, Liu X, Wang Z, Tang K: ABT737, a Bcl2 family inhibitor, has a synergistic effect with apoptosis by inducing urothelial carcinoma cell necroptosis. Mol Med Rep. 2021 Jun;23(6). pii: 412. doi: 10.3892/mmr.2021.12051. Epub 2021 Mar 31. [Article]
ChemSpider
9403232
BindingDB
21447
ChEBI
47575
ChEMBL
CHEMBL376408
ZINC
ZINC000094303099
PDBe Ligand
N3C
Wikipedia
ABT-737
PDB Entries
2yxj / 7jmt

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
Water Solubility0.000166 mg/mLALOGPS
logP6.97ALOGPS
logP7.48Chemaxon
logS-6.7ALOGPS
pKa (Strongest Acidic)4.27Chemaxon
pKa (Strongest Basic)9.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area128.13 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity229.6 m3·mol-1Chemaxon
Polarizability87.36 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 October 11, 2022 15:28 / Updated at December 01, 2022 11:33