Drug Details

Name:

CHEMBL93097

PubChem ID:

10599453

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1

SMILES:

N#Cc1ccc(cc1O[C@@H](c1ccccc1C)CCC(=O)O)OCc1ccc2c(c1)OCO2

Properties:

Formula:	C26H23NO6	Atoms:	33
Molecular Weight:	445.464	Rotatable Bonds:	9
H-bond Acceptors:	7	H-bond Donors:	1
logP:	5.15928

Targets:

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

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Synonyms:

(4R)-4-[5-(benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-4-(2-methylpheny

CHEBI:250415

CHEMBL93097

CID10599453

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