GPCRdb

CHEMBL26018

Agent/drug
Bioactivity

CHEMBL26018

SMILES	CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
InChIKey	GCJDLTIMRVUXDP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	11
Molecular weight (Da)	446.2

Database connections

ChEMBL_compound_ids 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	9.00	9.00	9.00	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Bovine	Adrenoceptors	A	pIC50	5.16	5.40	5.52	ChEMBL
α_2A	ADA2A	Bovine	Adrenoceptors	A	pIC50	5.00	5.47	5.70	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	7.70	8.52	9.15	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	4.70	4.95	5.10	ChEMBL
5-HT_2A	5HT2A	Bovine	5-Hydroxytryptamine	A	pIC50	5.00	5.13	5.30	ChEMBL
D₁	DRD1	Bovine	Dopamine	A	pIC50	4.52	4.64	4.70	ChEMBL
D₂	DRD2	Bovine	Dopamine	A	pIC50	6.70	6.97	7.22	ChEMBL

Showing 1 to 7 of 7 entries

CHEMBL26018

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.