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Ligand

NameCHEMBL316523
Molecular formulaC37H41NO12
IUPAC nameethyl 2-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxycarbonylamino]-4-methylpentanoate
Molecular weight691.73
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50290980
SCHEMBL8189982
2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yloxycarbonylamino]-4-methyl-pentanoic acid ethyl ester
Inchi KeyAGWINCPCXUTIHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H41NO12/c1-8-46-34(39)27(15-21(2)3)38-36(41)50-37(24-10-12-25(42-4)13-11-24)26(16-22-17-30(43-5)33(45-7)31(18-22)44-6)32(35(40)49-37)23-9-14-28-29(19-23)48-20-47-28/h9-14,17-19,21,27H,8,15-16,20H2,1-7H3,(H,38,41)
PubChem CID15411009
ChEMBLCHEMBL316523
IUPHARN/A
BindingDB50290980
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5291Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
5290Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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