GPCRdb

CHEMBL5424897

Agent/drug
Bioactivity

CHEMBL5424897

SMILES	CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)CCOC)CC3)CC2)c1
InChIKey	FNNKRCZBNZOMQJ-MEMLXQNLSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	10
Molecular weight (Da)	465.3

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	6.97	6.97	6.97	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.80	6.80	6.80	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.24	8.24	8.24	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.10	6.10	6.10	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.82	7.82	7.82	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.14	9.14	9.14	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.73	5.73	5.73	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	7.58	7.93	8.28	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.76	7.76	7.76	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5424897

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 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.