iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1719

Identifiers

  • Canonical SMILES: 
    NNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
  • IUPAC name: 
    5-(hydrazinecarbonyl)-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide
  • InChi: 
    InChI=1S/C10H10N6O2/c11-16-10(18)8-7(13-5-14-8)9(17)15-6-3-1-2-4-12-6/h1-5H,11H2,(H,13,14)(H,16,18)(H,12,15,17)
  • InChiKey: 
    JRPSMMVOCVGVPN-UHFFFAOYSA-N

External links


565801
CHEMBL1312820

External search

Bibliography (1)

Publication Name
Serrao E, Xu ZL, Debnath B, Christ F, Debyser Z, Long YQ, Neamati N. . Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction. Bioorganic & medicinal chemistry. 15

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
LEDGF / IN 6.40 HIV infectious disease Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 246.09 g/mol
HBA 8
HBD 5
HBA + HBD 13
AlogP -0.82
TPSA 125.79
RB 3
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 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
23985689 15 PSIP1
O75475
Biochemical assay alphascreen pIC50 (half maximal inhibitory concentration, -log10) 6.40
Ta Structure Name Drugbank ID
0.4672 IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE DB08758
0.4532 Eszopiclone DB00402
0.4532 Zopiclone DB01198
0.4312 Rivoceranib DB14765
0.4145 Talotrexin DB06178
0.4088 N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide DB07183
0.4064 Dabigatran DB14726
0.4056 Nevirapine DB00238
0.4036 Motesanib DB05575
0.3967 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine DB07585
0.3929 Pteroic acid DB04196
0.3892 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE DB07689
0.3892 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE DB07765
0.3878 Pagoclone DB04903
0.3846 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE DB07903