GPCRdb

CHEMBL2261359

Agent/drug
Bioactivity

CHEMBL2261359

SMILES	COc1cc(C)ccc1S(=O)(=O)NC(=O)[C@@H](c1ccc2c(c1)OCO2)c1cn(C)c2cc(C(=O)O)ccc12
InChIKey	RXNZJEAMURXNLG-VWLOTQADSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	536.1

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	pKi	8.38	8.38	8.38	ChEMBL
ET_B	EDNRB	Human	Endothelin	A	pKi	5.84	5.84	5.84	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ET_A	EDNRA	Human	Endothelin	A	pIC50	8.38	8.38	8.38	ChEMBL
ET_B	EDNRB	Human	Endothelin	A	pIC50	6.46	6.46	6.46	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL2261359

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.