GPCRdb

CHEMBL81728

Agent/drug
Bioactivity

CHEMBL81728

SMILES	O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1
InChIKey	GTEYGWXMYSXCRZ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	385.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.40	7.40	7.40	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	9.52	9.52	9.53	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	10.00	10.00	10.00	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.60	7.60	7.60	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.34	7.34	7.34	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	7.85	7.85	7.85	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.40	8.40	8.40	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	9.02	9.07	9.11	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL81728

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.