GPCRdb

CHEMBL4846638

Agent/drug
Bioactivity

CHEMBL4846638

SMILES	Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1
InChIKey	PMBDKZARCOUAFU-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	7
Molecular weight (Da)	380.2

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	6.58	6.58	6.58	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.36	7.36	7.36	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.63	5.63	5.63	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.40	7.40	7.40	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	5.00	5.00	5.00	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	5.72	5.72	5.72	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	5.49	5.49	5.49	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	6.58	6.58	6.58	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	6.65	7.16	7.66	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4846638

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.