GPCRdb

CHEMBL5204071

Agent/drug
Bioactivity

CHEMBL5204071

SMILES	COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
InChIKey	BLLYZWFUXWXJGP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	3
Rotatable bonds	2
Molecular weight (Da)	312.1

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_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.03	7.03	7.03	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.15	7.15	7.15	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	6.96	6.96	6.96	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.85	5.85	5.85	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.36	8.36	8.36	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	7.30	7.30	7.30	ChEMBL
5-HT_5A	5HT5A	Human	5-Hydroxytryptamine	A	pKi	6.64	6.64	6.64	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	7.16	7.16	7.16	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	7.59	7.59	7.59	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.44	6.44	6.44	ChEMBL

Showing 1 to 11 of 11 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pEC50	8.49	8.50	8.50	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pEC50	8.88	8.89	8.89	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pEC50	8.99	8.99	8.99	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5204071

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.