iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1799 - This compound has not been validated by a curator yet, data might be incomplete or inaccurate

Identifiers

  • Common name: ABT-737
  • Canonical SMILES: 
    CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl
  • 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
  • InChiKey: 
    HPLNQCPCUACXLM-PGUFJCEWSA-N

External links


11228183
CHEMBL376408
N3C

External search
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW not available
HBA not available
HBD not available
HBA + HBD not available
AlogP not available
TPSA not available
RB not available
Radar chart

Compound properties unavailable

PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
0 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
0.5580 Navitoclax DB12340
0.5136 Venetoclax DB11581
0.4523 3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide DB04394
0.4118 (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine DB07049
0.3946 Sulfabenzamide DB09355
0.3893 SC-74020 DB01630
0.3745 Avagacestat DB11893
0.3728 CNV-2197944 DB15229
0.3698 AZD-7295 DB12724
0.3696 Quinethazone DB01325
0.3678 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid DB07691
0.3670 N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide DB07115
0.3656 ABT-639 DB15055
0.3632 Nelfinavir DB00220
0.3624 Fenquizone DB13708