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Ligand

NameCHEMBL288123
Molecular formulaC38H46Cl2N3O3+
IUPAC name1'-[2-[3-(3,4-dichlorophenyl)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]ethyl]-1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidin-1-ium]-3-one
Molecular weight663.704
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.8
Synonyms1''-(2-{3-(3,4-dichlorophenyl)-1-[2-(3-isopropoxyphenyl)acetyl]hexahydro-3-pyridinyl}ethyl)-1''-methylspiro[1,2,3,4-tetrahydroisoquinoline-1,4''-(hexahydropyridine)ium]-3-one iodide
CHEMBL1183274
BDBM50070554
L014184
Inchi KeyBPUBHHAJFVYDJL-UHFFFAOYSA-O
Inchi IDInChI=1S/C38H45Cl2N3O3/c1-27(2)46-31-10-6-8-28(22-31)23-36(45)42-18-7-14-37(26-42,30-12-13-33(39)34(40)25-30)15-19-43(3)20-16-38(17-21-43)32-11-5-4-9-29(32)24-35(44)41-38/h4-6,8-13,22,25,27H,7,14-21,23-24,26H2,1-3H3/p+1
PubChem CID9832207
ChEMBLN/A
IUPHARN/A
BindingDB50070554
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558182Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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