GPCRdb

CHEMBL474473

Agent/drug
Bioactivity

CHEMBL474473

SMILES	COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1
InChIKey	QIRVZVCPNDJFQS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	544.2

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_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.53	5.53	5.53	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.77	5.77	5.77	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	5.81	5.81	5.81	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MRGPRX1	MRGX1	Human	A orphans	A	pEC50	7.62	7.62	7.62	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL474473

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.