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Ligand

NameCHEMBL3817945
Molecular formulaC27H29N5OS
IUPAC name[5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
Molecular weight471.623
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsN/A
Inchi KeyALFQWXZWABZKMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5OS/c1-29-12-14-31(15-13-29)27(33)25-17-20-18-32(11-10-24(20)34-25)21-7-5-6-19(16-21)26-28-22-8-3-4-9-23(22)30(26)2/h3-9,16-17H,10-15,18H2,1-2H3
PubChem CID127049409
ChEMBLCHEMBL3817945
IUPHARN/A
BindingDBN/A
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
521673Smoothened homologQ99835SMOHomo sapiens (Human)787

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