GPCRdb

CHEMBL12028

Agent/drug
Bioactivity

CHEMBL12028

SMILES	COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
InChIKey	ZDQFLGSBTLYBIX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	459.2

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	Rat	5-Hydroxytryptamine	A	pKi	9.80	9.80	9.80	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	pIC50	9.52	9.52	9.52	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	6.16	6.16	6.16	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	6.22	6.22	6.22	ChEMBL
D₁	DRD1	Rat	Dopamine	A	pIC50	6.40	6.40	6.40	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	7.22	7.22	7.22	ChEMBL

Showing 1 to 5 of 5 entries

CHEMBL12028

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.