iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2311

Identifiers

  • Canonical SMILES: 
    O=C1CCSc2ccccc12
  • IUPAC name: 
    3,4-dihydro-2H-1-benzothiopyran-4-one
  • InChi: 
    InChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
  • InChiKey: 
    CVQSWZMJOGOPAV-UHFFFAOYSA-N

External links


19048
F7B

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. Fr11

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 164.03 g/mol
HBA 1
HBD 0
HBA + HBD 1
AlogP 1.99
TPSA 17.07
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 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
0.5192 Tanomastat DB06276
0.5048 Meticrane DB13284
0.4748 Zaltoprofen DB06737
0.4492 Tertatolol DB13775
0.4490 S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE DB07590
0.4316 Captodiame DB09014
0.4245 Tazarotene DB00799
0.4210 2-Thiomethyl-3-Phenylpropanoic Acid DB02953
0.4158 Salirasib DB12681
0.4130 Tedatioxetine DB12641
0.4091 Tipelukast DB12435
0.3967 Butoconazole DB00639
0.3836 Cathinone DB01560
0.3817 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE DB07868
0.3649 Thiosalicylic acid DB14026