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Ligand

Name1,4-Dihydro-2,6-dimethyl-4-(4-nitrophenyl)-5-[[[3-[4-phenyl-4-(methoxycarbonyl)piperidine-1-yl]propyl]amino]carbonyl]pyridine-3-carboxylic acid 2-cyanoethyl ester
Molecular formulaC34H39N5O7
IUPAC name5-[2-(azaniumylidynemethyl)ethoxycarbonyl]-N-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboximidate
Molecular weight629.714
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.7
SynonymsN/A
Inchi KeyBIKZTBMUBLPFDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H39N5O7/c1-23-28(30(25-11-13-27(14-12-25)39(43)44)29(24(2)37-23)32(41)46-22-7-17-35)31(40)36-18-8-19-38-20-15-34(16-21-38,33(42)45-3)26-9-5-4-6-10-26/h4-6,9-14,30,37H,7-8,15-16,18-22H2,1-3H3,(H,36,40)
PubChem CID136901434
ChEMBLCHEMBL2260361
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
24520Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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