GPCRdb

CHEMBL4853107

Agent/drug
Bioactivity

CHEMBL4853107

SMILES	Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1
InChIKey	BIZMGZSJEDDVNF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	8
Molecular weight (Da)	402.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pKi	6.30	6.30	6.30	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.07	7.07	7.07	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.78	5.78	5.78	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.14	7.14	7.14	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	5.49	5.49	5.49	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	5.44	5.44	5.44	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	5.96	5.96	5.96	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	6.55	6.55	6.55	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	6.88	7.05	7.22	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4853107

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.