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Ligand

NameCHEMBL91956
Molecular formulaC35H38N4O5
IUPAC namemethyl 5-[2-(4,4-diphenylpiperidin-1-yl)ethylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular weight594.712
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.8
SynonymsCHEMBL2260371
Inchi KeyABXPWBXTSHZRFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H38N4O5/c1-24-30(32(31(25(2)37-24)34(41)44-3)26-14-16-29(17-15-26)39(42)43)33(40)36-20-23-38-21-18-35(19-22-38,27-10-6-4-7-11-27)28-12-8-5-9-13-28/h4-17,32,37H,18-23H2,1-3H3,(H,36,40)
PubChem CID10531532
ChEMBLCHEMBL2260371
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
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GLASS IDNameUniProtGeneSpeciesLength
1293Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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