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Ligand

NamePD-159020
Molecular formulaC32H25NO8
IUPAC name3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-6-phenylmethoxyindole-2-carboxylic acid
Molecular weight551.551
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.1
SynonymsHY-101598
CHEMBL10016
BDBM50289221
CS-6724
3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmethyl-6-benzyloxy-5-methoxy-1H-indole-2-carboxylic acid
[ Show all ]
Inchi KeyBOQQYCYLUTYLGS-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H25NO8/c1-36-26-13-22-23(14-29(26)37-16-19-5-3-2-4-6-19)33(15-20-7-9-24-27(11-20)40-17-38-24)31(32(34)35)30(22)21-8-10-25-28(12-21)41-18-39-25/h2-14H,15-18H2,1H3,(H,34,35)
PubChem CID9850566
ChEMBLCHEMBL10016
IUPHARN/A
BindingDB50289221
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
29036Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
29035Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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