iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1821 - This compound has not been validated by a curator yet, data might be incomplete or inaccurate

Identifiers

  • Canonical SMILES: 
    c1(c(cccc1)Cl)S(=O)(=O)Nc1c(ccc(c1)c1nn2c(c3ccccc13)nnc2C)N1CCOCC1
  • InChi: 
    InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
  • InChiKey: 
    WLUMGCPGWDQOSB-UHFFFAOYSA-N

External links


76310219
CHEMBL3108801
Y1Z

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
0.5460 N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide DB04154
0.4697 AMG-208 DB08079
0.4555 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol DB08111
0.4474 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE DB07944
0.4378 Sulfasalazine DB00795
0.4330 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid DB07125
0.4318 (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol DB08004
0.4280 Elismetrep DB15287
0.4250 Omidenepag isopropyl DB15071
0.4223 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine DB08774
0.4221 N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide DB06933
0.4208 N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide DB07020
0.4206 Zaleplon DB00962
0.4199 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide DB07162
0.4167 JNJ-42396302 DB12657