GPCRdb

CHEMBL4293999

Agent/drug
Bioactivity

CHEMBL4293999

SMILES	O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIKey	ACOZPXLCYUQMHS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	475.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.07	8.07	8.07	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	8.07	8.07	8.07	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	9.14	9.14	9.14	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.21	6.21	6.21	ChEMBL
5-HT_2C	5HT2C	Rat	5-Hydroxytryptamine	A	pKi	6.21	6.21	6.21	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	8.26	8.26	8.26	ChEMBL
5-HT₇	5HT7R	Rat	5-Hydroxytryptamine	A	pKi	6.65	6.65	6.65	ChEMBL
D₁	DRD1	Rat	Dopamine	A	pKi	7.11	7.11	7.11	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.54	8.54	8.54	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	8.54	8.54	8.54	ChEMBL
D₃	DRD3	Rat	Dopamine	A	pKi	8.78	8.78	8.78	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.78	8.78	8.78	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	6.20	6.20	6.20	ChEMBL
H₁	HRH1	Guinea pig	Histamine	A	pKi	6.20	6.20	6.20	ChEMBL

Showing 1 to 14 of 14 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	6.23	6.23	6.23	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	6.59	6.59	6.59	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pIC50	6.75	6.75	6.75	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	6.44	6.44	6.44	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	8.04	8.04	8.04	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.59	7.59	7.59	ChEMBL

Showing 1 to 6 of 6 entries

CHEMBL4293999

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.