GPCRdb

CHEMBL359553

Agent/drug
Bioactivity

CHEMBL359553

SMILES	O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1
InChIKey	XYVOFUHXLRVWII-MUUNZHRXSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	3
Rotatable bonds	8
Molecular weight (Da)	567.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

B₁	BKRB1	Dog	Bradykinin	A	pKi	9.30	9.30	9.30	ChEMBL
B₁	BKRB1	Rabbit	Bradykinin	A	pKi	10.30	10.30	10.30	ChEMBL
B₁	BKRB1	Rat	Bradykinin	A	pKi	7.47	7.47	7.47	ChEMBL
B₁	BKRB1	Human	Bradykinin	A	pKi	10.70	10.70	10.70	ChEMBL
B₁	BKRB1	Human	Bradykinin	A	pKd	10.82	10.82	10.82	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

B₁	BKRB1	Human	Bradykinin	A	pIC50	10.40	10.40	10.40	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL359553

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.