GproteinDb

CHEMBL4277264

Agent/drug
Bioactivity

CHEMBL4277264

SMILES	Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
InChIKey	HWAIAGZSWHOLLK-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	0
Rotatable bonds	3
Molecular weight (Da)	356.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8JXS

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	5.47	5.47	5.47	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.04	5.04	5.04	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	5.47	5.47	5.47	ChEMBL
β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.12	5.12	5.12	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	5.03	5.03	5.03	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	5.51	5.51	5.51	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	5.09	5.09	5.09	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	5.92	5.92	5.92	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.03	5.03	5.03	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.03	5.03	5.03	ChEMBL
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.01	5.01	5.01	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	5.31	5.31	5.31	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.39	5.39	5.39	ChEMBL
5-HT₄	5HT4R	Human	5-Hydroxytryptamine	A	pKi	5.04	5.04	5.04	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	5.09	5.09	5.09	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	5.11	5.11	5.11	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.96	7.65	8.05	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.08	5.08	5.08	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	5.10	5.10	5.10	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.35	5.35	5.35	ChEMBL

Showing 1 to 20 of 24 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pIC50	5.68	5.68	5.68	ChEMBL
D₁	DRD1	Human	Dopamine	A	pEC50	6.50	7.66	9.61	ChEMBL
H₁	HRH1	Human	Histamine	A	pIC50	5.34	5.34	5.34	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	5.31	5.31	5.31	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL4277264

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
Structure pdb	8JXS

Compound is not listed as a drug.