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Ligand

NameCHEMBL327712
Molecular formulaC36H39Cl2N3O3
IUPAC namemethyl 4-(3,4-dichlorophenyl)-5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Molecular weight632.626
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.5
SynonymsCHEMBL2260367
Inchi KeyBGJXZMTXHJZKQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H39Cl2N3O3/c1-24-31(33(26-15-16-29(37)30(38)23-26)32(25(2)40-24)35(43)44-3)34(42)39-19-10-20-41-21-17-36(18-22-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23,33,40H,10,17-22H2,1-3H3,(H,39,42)
PubChem CID10651654
ChEMBLCHEMBL2260367
IUPHARN/A
BindingDBN/A
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
23069Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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