iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2199

Identifiers

  • Canonical SMILES: 
    CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
  • IUPAC name: 
    7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
  • InChi: 
    InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
  • InChiKey: 
    AAOVKJBEBIDNHE-UHFFFAOYSA-N

External links


3016
CHEMBL12
DZP
DB00829

External search

Bibliography (1)

Publication Name
Zhao Hongtao, Gartenmann Lisa, Dong Jing, Spiliotopoulos Dimitrios, Caflisch Amedeo. . Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking Bioorganic & Medicinal Chemistry Letters. Compound 4

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
0 0 0 0

Targets

PPI family Best activity Diseases MMoA
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 284.07 g/mol
HBA 3
HBD 0
HBA + HBD 3
AlogP 3.08
TPSA 32.67
RB 1
Radar chart
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
1 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
1.0000 Nordazepam DB14028
1.0000 Diazepam DB00829
0.9375 Delorazepam DB01511
0.8974 Temazepam DB00231
0.8974 Oxazepam DB00842
0.8898 Fludiazepam DB01567
0.8824 Pinazepam DB13335
0.8762 Medazepam DB13437
0.8750 Halazepam DB00801
0.8537 Prazepam DB01588
0.8468 Clorazepic acid DB00628
0.8400 Lormetazepam DB13872
0.8400 Lorazepam DB00186
0.8203 Flurazepam DB00690
0.7609 Temazepam acetate DB14671