GPCRdb

CHEMBL448891

Agent/drug
Bioactivity

CHEMBL448891

SMILES	COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2
InChIKey	DIHXHTWYVOYYDC-INIZCTEOSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	3
Molecular weight (Da)	341.2

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	Human	5-Hydroxytryptamine	A	pKi	6.83	6.83	6.83	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.97	7.13	7.30	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.27	6.39	6.52	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.77	5.77	5.77	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	6.62	6.62	6.62	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	6.72	6.72	6.72	ChEMBL
D₁	DRD1	Human	Dopamine	A	pEC50	5.87	5.87	5.87	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	4.67	4.67	4.67	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	4.73	4.73	4.73	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL448891

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.