iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2304

Identifiers

  • Canonical SMILES: 
    Nc1nc2ncccc2[nH]1
  • IUPAC name: 
    1H-imidazo[4,5-b]pyridin-2-amine
  • InChi: 
    InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)
  • InChiKey: 
    KXQPVJRJUJJWQJ-UHFFFAOYSA-N

External links


179897
CHEMBL4589188
BU8

External search

Bibliography (1)

Publication Name
Amato Anastasia, Lucas Xavier, Bortoluzzi Alessio, Wright David, Ciulli Alessio. . Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach ACS Chemical Biology. Fr3

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
2 0 0 0

Targets

PPI family Best activity Diseases MMoA
BAZ2-like PHD / H3 3.05 prostate cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 134.06 g/mol
HBA 4
HBD 3
HBA + HBD 7
AlogP 0.22
TPSA 67.59
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 2 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/acschembio.7b01093 Fr3 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2B PHD pKd (dissociation constant, -log10) 2.37
10.1021/acschembio.7b01093 Fr3 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay AlphaLISA BAZ2B PHD pIC50 (half maximal inhibitory concentration, -log10) 3.05
Ta Structure Name Drugbank ID
0.6032 9-Deazaadenine DB03506
0.5119 Imiquimod DB00724
0.5000 9-Deazaguanine DB04356
0.5000 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine DB08398
0.4839 Adenine DB00173
0.4833 1,N6-Ethenoadenine DB01952
0.4731 2-(Pyrido[1,2-E]Purin-4-Yl)Amino-Ethanol DB01994
0.4697 2,4,6-Triaminoquinazoline DB02532
0.4673 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol DB06898
0.4627 2-Amino-1H-benzimidazol-5-ol DB03729
0.4615 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE DB07862
0.4536 Sotirimod DB05680
0.4533 Tioguanine DB00352
0.4474 Guanine DB02377
0.4444 3,9-Dimethyladenine DB03730