Drug Details

Name:

CHEMBL93776

PubChem ID:

11796594

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)

SMILES:

OC(=O)CCC(c1ccccc1C)Oc1cc(OCc2ccsc2)ccc1C(=O)C

Properties:

Formula:	C24H24O5S	Atoms:	30
Molecular Weight:	424.509	Rotatable Bonds:	10
H-bond Acceptors:	6	H-bond Donors:	1
logP:	5.823

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:

4-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic

CHEBI:249435

CHEMBL93776

CID11796594

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