iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2305

Identifiers

  • Canonical SMILES: 
    OC1(CCNCC1)c1ccc(Cl)cc1
  • IUPAC name: 
    4-(4-chlorophenyl)piperidin-4-ol
  • InChi: 
    InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
  • InChiKey: 
    LZAYOZUFUAMFLD-UHFFFAOYSA-N

External links


38282
CHEMBL3298755
WD5

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. Fr5

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
BAZ2-like PHD / H3 2.33 prostate cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 211.08 g/mol
HBA 2
HBD 2
HBA + HBD 4
AlogP 1.38
TPSA 36.84
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 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/acschembio.7b01093 Fr5 BAZ2A
Q9UIF9 		H31
P68431 		Biochemical assay NMR chemical-shift perturbation BAZ2A PHD pKd (dissociation constant, -log10) 2.33
Ta Structure Name Drugbank ID
0.8088 Halofantrine DB01218
0.7500 Pridinol DB13642
0.7160 Haloperidol DB00502
0.7160 Loperamide DB00836
0.7042 Pitolisant DB11642
0.6956 Clofedanol DB04837
0.6923 Clobutinol DB09004
0.6857 Trihexyphenidyl DB00376
0.6857 Cycrimine DB00942
0.6812 Tridihexethyl DB00505
0.6744 Penfluridol DB13791
0.6667 Fenpropidin DB12728
0.6667 Quifenadine DB13713
0.6620 Procyclidine DB00387
0.6517 Loperamide oxide DB14661