GPCRdb

CHEMBL2013228

Agent/drug
Bioactivity

CHEMBL2013228

SMILES	COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC
InChIKey	QUPDLXCNMYTGQL-WOJGMQOQSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	10
Molecular weight (Da)	538.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ACKR3	ACKR3	Human	Chemokine	A	pKi	5.30	5.30	5.30	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ACKR3	ACKR3	Human	Chemokine	A	pEC50	5.85	5.85	5.85	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL2013228

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.