GPCRdb

CHEMBL5221451

SMILES	N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1
InChIKey	XQOLXGFKFIWXQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	6
Molecular weight (Da)	332.1

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source
GTP No matches found	Uniprot No matches found	Species No matches found	Family No matches found	Class No matches found	Type No matches found	Min	Avg	Max	Database No matches found
D₂	DRD2	Human	Dopamine	A	pKd	10.83	10.83	10.83	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.34	5.34	5.34	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.13	7.13	7.13	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKd	10.59	10.59	10.59	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.25	5.25	5.25	ChEMBL
H₁	HRH1	Human	Histamine	A	pKd	8.35	8.35	8.35	ChEMBL
H₂	HRH2	Human	Histamine	A	pKd	7.91	7.91	7.91	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.57	7.57	7.57	ChEMBL
H₃	HRH3	Human	Histamine	A	pKd	8.52	8.52	8.52	ChEMBL
H₄	HRH4	Human	Histamine	A	pKd	7.8	7.8	7.8	ChEMBL

Showing 1 to 10 of 10 entries

Search:

Receptor					Activity				Source
GTP No matches found	Uniprot No matches found	Species No matches found	Family No matches found	Class No matches found	Type No matches found	Min	Avg	Max	Database No matches found
D₂	DRD2	Human	Dopamine	A	pEC50	5.47	5.47	5.47	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.17	7.17	7.17	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	7.31	7.81	8.31	ChEMBL

Showing 1 to 3 of 3 entries