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Ligand

NameCHEMBL517024
Molecular formulaC23H29N3O3S
IUPAC name(1S,4R)-1-[(4-isoquinolin-3-ylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight427.563
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50412582
Inchi KeyAZQCPPQIWMOIQD-AUSIDOKSSA-N
Inchi IDInChI=1S/C23H29N3O3S/c1-22(2)19-7-8-23(22,20(27)14-19)16-30(28,29)26-11-9-25(10-12-26)21-13-17-5-3-4-6-18(17)15-24-21/h3-6,13,15,19H,7-12,14,16H2,1-2H3/t19-,23-/m1/s1
PubChem CID44570515
ChEMBLCHEMBL517024
IUPHARN/A
BindingDB50412582
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18405C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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