GPCRdb

CHEMBL4875600

Agent/drug
Bioactivity

CHEMBL4875600

SMILES	Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1
InChIKey	FFKSIHLRCNTALR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	6
Molecular weight (Da)	378.2

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	6.50	6.50	6.50	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.06	8.06	8.06	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.11	5.11	5.11	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	8.69	8.69	8.69	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	4.41	4.41	4.41	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	4.88	4.88	4.88	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	6.23	6.23	6.23	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.14	7.14	7.14	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	7.19	7.19	7.19	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4875600

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.