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Ligand

NameCHEMBL103501
Molecular formulaC34H29NO7
IUPAC name[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-(4-methoxyphenyl)-5-oxofuran-2-yl] N-[(1S)-1-phenylethyl]carbamate
Molecular weight563.606
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50290985
((S)-1-Phenyl-ethyl)-carbamic acid 4-benzo[1,3]dioxol-5-yl-3-benzyl-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-furan-2-yl ester
Inchi KeyAVTITURLDNGPIM-DAXAVGQISA-N
Inchi IDInChI=1S/C34H29NO7/c1-22(24-11-7-4-8-12-24)35-33(37)42-34(26-14-16-27(38-2)17-15-26)28(19-23-9-5-3-6-10-23)31(32(36)41-34)25-13-18-29-30(20-25)40-21-39-29/h3-18,20,22H,19,21H2,1-2H3,(H,35,37)/t22-,34?/m0/s1
PubChem CID15410997
ChEMBLCHEMBL103501
IUPHARN/A
BindingDB50290985
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15619Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
15620Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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