iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2315

Identifiers

  • Canonical SMILES: 
    NCC(=O)Nc1ccc(N)cc1
  • IUPAC name: 
    2-amino-N-(4-aminophenyl)acetamide
  • InChi: 
    InChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12)
  • InChiKey: 
    DKCWGVIARWBMDV-UHFFFAOYSA-N

External links


21263335
D3H

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. Fr23

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
4 0 0 0

Targets

PPI family Best activity Diseases MMoA
BAZ2-like PHD / H3 4.00 prostate cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 165.09 g/mol
HBA 4
HBD 5
HBA + HBD 9
AlogP -0.54
TPSA 82.76
RB 2
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 4 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/acschembio.7b01093 Fr23 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2A PHD pKd (dissociation constant, -log10) 2.15
10.1021/acschembio.7b01093 Fr23 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2B PHD pKd (dissociation constant, -log10) 2.01
10.1021/acschembio.7b01093 Fr23 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay AlphaLISA BAZ2A PHD pIC50 (half maximal inhibitory concentration, -log10) 4.00
10.1021/acschembio.7b01093 Fr23 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay AlphaLISA BAZ2B PHD pIC50 (half maximal inhibitory concentration, -log10) 3.70
Ta Structure Name Drugbank ID
0.6591 Acetaminophen DB00316
0.6296 Tocainide DB01056
0.6182 Lidocaine DB00281
0.5854 4-(Isopropylamino)diphenylamine DB14195
0.5484 Prilocaine DB00750
0.5472 Phenacetin DB03783
0.5472 Diloxanide DB08792
0.5273 Acedoben DB04500
0.5238 N-Allylaniline DB02870
0.5231 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE DB08348
0.5111 1,3-diphenylurea DB07496
0.5085 N-acetylsulfanilyl chloride DB12337
0.5075 N-[4-(benzyloxy)phenyl]glycinamide DB07099
0.5075 Diampromide DB01502
0.5000 [[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid, DB02420