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Ligand

NameCHEMBL319679
Molecular formulaC33H29NO4
IUPAC name(4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate
Molecular weight503.598
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP8.0
SynonymsAcridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-tert-butyl-benzyl ester
BDBM50288555
Inchi KeyAMWHTWLJFCHTAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3
PubChem CID44332776
ChEMBLCHEMBL319679
IUPHARN/A
BindingDB50288555
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9307Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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