GPCRdb

CHEMBL5221757

Agent/drug
Bioactivity

CHEMBL5221757

SMILES	CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1
InChIKey	KGGHECZDYBMALC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	4
Rotatable bonds	8
Molecular weight (Da)	312.2

Database connections

ChEMBL_compound_ids 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	pKd	10.83	10.83	10.83	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.46	5.46	5.46	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.50	7.50	7.50	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKd	10.59	10.59	10.59	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	5.02	5.02	5.02	ChEMBL
H₁	HRH1	Human	Histamine	A	pKd	8.35	8.35	8.35	ChEMBL
H₂	HRH2	Human	Histamine	A	pKi	7.64	7.64	7.64	ChEMBL
H₂	HRH2	Human	Histamine	A	pKd	7.91	7.91	7.91	ChEMBL
H₃	HRH3	Human	Histamine	A	pKd	8.52	8.52	8.52	ChEMBL
H₄	HRH4	Human	Histamine	A	pKd	7.80	7.80	7.80	ChEMBL

Showing 1 to 10 of 10 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	5.85	5.85	5.85	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.40	7.40	7.40	ChEMBL
H₂	HRH2	Human	Histamine	A	pEC50	7.25	7.74	8.22	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5221757

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.