GPCRdb

CHEMBL1259071

Agent/drug
Bioactivity

CHEMBL1259071

SMILES	Cc1ccc(CNCC2(F)CCN(C(=O)c3cc(Br)cs3)CC2)nc1
InChIKey	VSVDMIMYERSROL-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	425.1

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_2A	5HT2A	Pig	5-Hydroxytryptamine	A	pKi	4.75	4.75	4.75	ChEMBL
D₁	DRD1	Pig	Dopamine	A	pKi	4.47	4.47	4.47	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	4.00	4.07	4.14	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	4.72	4.72	4.72	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.70	5.70	5.70	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	7.77	7.77	7.77	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1259071

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.