GPCRdb

CHEMBL5400876

Agent/drug
Bioactivity

CHEMBL5400876

SMILES	c1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1
InChIKey	KZVXSSLUUGFVFR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	338.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.23	6.23	6.23	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	6.40	6.40	6.40	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.37	5.37	5.37	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	6.45	6.45	6.45	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.45	6.45	6.45	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.14	7.14	7.14	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	5.90	5.90	5.90	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.24	8.24	8.24	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.54	5.54	5.54	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.85	5.85	5.85	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.56	5.56	5.56	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.34	7.34	7.34	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.89	7.89	7.89	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.45	5.45	5.45	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	5.64	5.64	5.64	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.97	6.97	6.97	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.56	5.56	5.56	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.53	5.53	5.53	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.94	6.09	6.23	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.02	8.34	8.66	ChEMBL

Showing 1 to 20 of 21 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	5.34	5.34	5.34	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	6.27	6.27	6.27	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	5.00	5.08	5.17	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	5.96	5.96	5.96	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	4.66	4.66	4.66	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	5.25	5.25	5.25	ChEMBL
D₄	DRD4	Human	Dopamine	A	pIC50	7.16	7.38	7.59	ChEMBL
D₄	DRD4	Human	Dopamine	A	pEC50	7.97	7.97	7.97	ChEMBL

Showing 1 to 8 of 8 entries

CHEMBL5400876

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.