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Ligand

NameCHEMBL416518
Molecular formulaC24H17NO6
IUPAC name3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)indole-2-carboxylic acid
Molecular weight415.401
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50289227
3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmethyl-1H-indole-2-carboxylic acid
Inchi KeyARFKWLZSBLEADD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H17NO6/c26-24(27)23-22(15-6-8-19-21(10-15)31-13-29-19)16-3-1-2-4-17(16)25(23)11-14-5-7-18-20(9-14)30-12-28-18/h1-10H,11-13H2,(H,26,27)
PubChem CID44266549
ChEMBLCHEMBL416518
IUPHARN/A
BindingDB50289227
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12416Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
12415Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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