GPCRdb

CHEMBL5404054

Agent/drug
Bioactivity

CHEMBL5404054

SMILES	CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4ccnc5ccccc45)CC3)CC2)c1Cl
InChIKey	VWTCRTQGMATJRY-HCGLCNNCSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	504.3

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	7.12	7.12	7.12	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.82	7.82	7.82	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.90	8.90	8.90	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	5.27	5.27	5.27	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.11	8.11	8.11	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.47	9.47	9.47	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.38	6.38	6.38	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	7.37	7.37	7.37	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	7.44	7.44	7.44	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5404054

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.