GPCRdb

CHEMBL4853668

Agent/drug
Bioactivity

CHEMBL4853668

SMILES	CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C
InChIKey	CKIPXVNSJRXNTQ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	9
Molecular weight (Da)	340.2

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	6.25	6.25	6.25	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.85	7.85	7.85	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.11	5.11	5.11	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.54	7.54	7.54	ChEMBL
H₃	HRH3	Human	Histamine	A	pKi	5.25	5.25	5.25	ChEMBL
H₄	HRH4	Human	Histamine	A	pKi	5.09	5.09	5.09	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	5.76	5.76	5.76	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.63	7.63	7.63	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	7.07	7.24	7.41	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4853668

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.