Drug Details

Name:

CHEMBL11115

PubChem ID:

9955200

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C26H22O7/c1-29-19-8-3-16(4-9-19)13-21-24(17-5-12-22-23(14-17)32-15-31-22)25(27)33-26(21,28)18-6-10-20(30-2)11-7-18/h3-12,14,28H,13,15H2,1-2H3

SMILES:

COc1ccc(cc1)CC1=C(c2ccc3c(c2)OCO3)C(=O)OC1(O)c1ccc(cc1)OC

Properties:

Formula:	C26H22O7	Atoms:	33
Molecular Weight:	446.449	Rotatable Bonds:	6
H-bond Acceptors:	7	H-bond Donors:	1
logP:	3.8309

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_HUMAN	BindingDB	-	shows
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_HUMAN	BindingDB	-	shows

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Synonyms:

3-benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)

CHEBI:107932

CHEMBL11115

CID9955200

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