GPCRdb

CHEMBL268751

Agent/drug
Bioactivity

CHEMBL268751

SMILES	CCCOc1ccc2c(-c3ccc4c(c3)OCO4)c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c2c1
InChIKey	OYUYFTQOLVQNJA-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	473.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ET_A	EDNRA	Human	Endothelin	A	pKd	6.90	6.90	6.90	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ET_A	EDNRA	Human	Endothelin	A	pIC50	7.33	7.33	7.33	ChEMBL
ET_B	EDNRB	Human	Endothelin	A	pIC50	5.25	5.25	5.25	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL268751

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.