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Ligand

NameCHEMBL101292
Molecular formulaC29H20ClNO4
IUPAC name(4-chlorophenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate
Molecular weight481.932
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.9
SynonymsAcridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-chloro-benzyl ester
BDBM50288558
Inchi KeyBDQKQZBSECLBLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H20ClNO4/c30-20-12-9-18(10-13-20)16-33-29(32)27(19-11-14-25-26(15-19)35-17-34-25)28-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)28/h1-15,27H,16-17H2
PubChem CID44332650
ChEMBLCHEMBL101292
IUPHARN/A
BindingDB50288558
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21168Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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