GPCRdb

CHEMBL5422403

Agent/drug
Bioactivity

CHEMBL5422403

SMILES	COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)C(=O)C3(C)C(c3ccccc3)=C2c2ccccc2)CC1
InChIKey	UIUZCPPYQICTIK-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	0
Rotatable bonds	9
Molecular weight (Da)	603.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

H₁	HRH1	Rat	Histamine	A	pKi	6.52	6.52	6.52	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pEC50	8.22	8.22	8.22	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	4.94	4.94	4.94	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5422403

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.