iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2313

Identifiers

  • Canonical SMILES: 
    NCC(=O)Nc1ccc(O)cc1
  • IUPAC name: 
    2-amino-N-(4-hydroxyphenyl)acetamide
  • InChi: 
    InChI=1S/C8H10N2O2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5,9H2,(H,10,12)
  • InChiKey: 
    KSHDSWRHTYVABI-UHFFFAOYSA-N

External links


412561
WZY

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. Fr20

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 1.95 prostate cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 166.07 g/mol
HBA 4
HBD 4
HBA + HBD 8
AlogP -0.19
TPSA 76.97
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 2 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/acschembio.7b01093 Fr20 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2A PHD pKd (dissociation constant, -log10) 1.95
10.1021/acschembio.7b01093 Fr20 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2B PHD pKd (dissociation constant, -log10) 1.82
Ta Structure Name Drugbank ID
0.8810 Acetaminophen DB00316
0.7255 Phenacetin DB03783
0.7255 Diloxanide DB08792
0.6462 N-[4-(benzyloxy)phenyl]glycinamide DB07099
0.6102 Lidocaine DB00281
0.6087 Edrophonium DB01010
0.5952 4-dimethylaminophenol DB13549
0.5932 Tocainide DB01056
0.5758 Propacetamol DB09288
0.5522 Bucetin DB13278
0.5333 (4-(trifluoromethoxy)phenyl)urea DB15610
0.5224 Prilocaine DB00750
0.5139 Practolol DB01297
0.5068 N-(3,5-dibromo-4-hydroxyphenyl)benzamide DB08104
0.5000 Acedoben DB04500