GPCRdb

CHEMBL5437394

Agent/drug
Bioactivity

CHEMBL5437394

SMILES	CC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)C12
InChIKey	DLUWIXMSKRANKF-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	0
Rotatable bonds	8
Molecular weight (Da)	574.3

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	6.22	6.22	6.22	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	6.16	6.16	6.16	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	4.30	4.30	4.30	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL5437394

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.