GPCRdb

CHEMBL325601

Agent/drug
Bioactivity

CHEMBL325601

SMILES	COC(=O)CCCCC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1SC
InChIKey	DWSHMWJCXXOESP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	13
Molecular weight (Da)	553.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

B₂	BKRB2	Guinea pig	Bradykinin	A	pKi	8.27	8.27	8.27	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

B₂	BKRB2	Guinea pig	Bradykinin	A	pIC50	7.33	7.33	7.33	ChEMBL
B₂	BKRB2	Guinea pig	Bradykinin	A	pEC50	6.32	6.32	6.32	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL325601

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.