GproteinDb

CHEMBL458220

Agent/drug
Bioactivity

CHEMBL458220

SMILES	Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIKey	OZAJLQLEAWUZSC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	513.2

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_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.84	5.84	5.84	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.23	6.23	6.23	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	6.34	6.34	6.34	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.28	7.28	7.28	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.01	7.01	7.01	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.52	6.52	6.52	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.47	5.47	5.47	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.29	5.29	5.29	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.45	5.45	5.45	ChEMBL

Showing 1 to 9 of 9 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MRGPRX1	MRGX1	Human	A orphans	A	pEC50	6.90	6.90	6.90	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL458220

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.