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Ligand

NameMLS-0435540.0001
Molecular formulaC27H36N4O3S
IUPAC name[4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
Molecular weight496.67
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM68314
ZINC12534511
[4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
cid_17563969
931599-26-7
[ Show all ]
Inchi KeyDVXLIZQMENMCFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36N4O3S/c1-22-9-3-4-10-25(22)29-17-19-30(20-18-29)27(32)24-21-23(11-12-26(24)28-13-7-8-14-28)35(33,34)31-15-5-2-6-16-31/h3-4,9-12,21H,2,5-8,13-20H2,1H3
PubChem CID17563969
ChEMBLCHEMBL1709725
IUPHARN/A
BindingDB68314
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70340Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
70339Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
70338G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
70337G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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