GPCRdb

CHEMBL5189417

Agent/drug
Bioactivity

CHEMBL5189417

SMILES	COc1cc2ncnc(N3CCC(CN4CCN(c5ccc(Cl)cc5)CC4)C3)c2cc1OC
InChIKey	OKDBVFUGMDQFGQ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	467.2

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_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.44	6.44	6.44	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.86	6.86	6.86	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	4.92	5.12	5.32	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL5189417

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.