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Ligand

NameCHEMBL327931
Molecular formulaC30H35ClN4O5
IUPAC namemethyl 4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-5-[3-(4-phenylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate
Molecular weight567.083
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsCHEMBL2260370
Inchi KeyAYMBGUWKCGBISU-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35ClN4O5/c1-19-26(29(36)32-14-7-15-34-16-12-22(13-17-34)21-8-5-4-6-9-21)28(27(20(2)33-19)30(37)40-3)23-10-11-24(31)25(18-23)35(38)39/h4-6,8-11,18,22,28,33H,7,12-17H2,1-3H3,(H,32,36)
PubChem CID10769331
ChEMBLCHEMBL2260370
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
17578Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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