iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2133

Identifiers

  • Canonical SMILES: 
    Cn1ccc2cc[nH]c(=O)c12
  • IUPAC name: 
    1-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
  • InChi: 
    InChI=1S/C8H8N2O/c1-10-5-3-6-2-4-9-8(11)7(6)10/h2-5H,1H3,(H,9,11)
  • InChiKey: 
    MKLDTQZQFAGIBR-UHFFFAOYSA-N

External links


52908295
CHEMBL2436001

External search

Bibliography (1)

Publication Name
Vidler Lewis R., Filippakopoulos Panagis, Fedorov Oleg, Picaud Sarah, Martin Sarah, Tomsett Michael, Woodward Hannah, Brown Nathan, Knapp Stefan, Hoelder Swen. . Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening Journal of Medicinal Chemistry. Compound 6

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 148.06 g/mol
HBA 3
HBD 1
HBA + HBD 4
AlogP 0.55
TPSA 34.03
RB 0
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
0.6379 1-Methyl-2-quinolone DB04580
0.5417 9-Deazahypoxanthine DB04095
0.5172 2-Hydroxyquinoline DB04745
0.5000 9-Deazaguanine DB04356
0.5000 Pirfenidone DB04951
0.4744 3,4-Dihydroxy-1-Methylquinolin-2(1h)-One DB01754
0.4667 Euflavine DB13326
0.4535 Hydronidone DB06299
0.4430 3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium DB02310
0.4412 Methaqualone DB04833
0.4390 FG-9041 DB03759
0.4386 1,10-Phenanthroline DB02365
0.4255 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE DB07158
0.4189 Cridanimod DB13674
0.4130 Imiquimod DB00724