iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2310

Identifiers

  • Canonical SMILES: 
    Cc1ccc(C(N)=O)c(N)c1
  • IUPAC name: 
    2-amino-4-methylbenzamide
  • InChi: 
    InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H2,10,11)
  • InChiKey: 
    RUHKZVAPXHIWJH-UHFFFAOYSA-N

External links


2801474

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. Fr7

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 3.30 prostate cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 150.08 g/mol
HBA 3
HBD 4
HBA + HBD 7
AlogP 1.16
TPSA 69.11
RB 1
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 Fr7 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay AlphaLISA BAZ2A PHD pIC50 (half maximal inhibitory concentration, -log10) 3.30
10.1021/acschembio.7b01093 Fr7 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay AlphaLISA BAZ2B PHD pIC50 (half maximal inhibitory concentration, -log10) 3.05
Ta Structure Name Drugbank ID
0.6000 Anthranilic acid DB04166
0.6000 Aminomethylbenzoic acid DB13244
0.5870 Gabaculine DB02054
0.5790 2,5-Xylidine DB02163
0.5556 Benzhydroxamic Acid DB01924
0.5435 Aminobenzoic acid DB02362
0.5385 3,4-dimethylaniline DB03018
0.5319 Salicylamide DB08797
0.5263 Procainamide DB01035
0.5250 4,5-Dimethyl-1,2-phenylenediamine DB03180
0.5000 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE DB07096
0.5000 CP1-1189 DB12311
0.5000 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine DB01977
0.4923 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide DB08656
0.4909 3-hydroxyanthranilic acid DB03644