GPCRdb

CHEMBL123349

Agent/drug
Bioactivity

CHEMBL123349

SMILES	CN1CCc2cccc(Cl)c2CC1
InChIKey	RSRUDTPYRBLHEO-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	1
Hydrogen bond donors	0
Rotatable bonds	0
Molecular weight (Da)	195.1

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	α_2A

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.35	6.35	6.35	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	6.31	6.31	6.31	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.90	6.90	6.90	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.03	8.03	8.03	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.62	8.62	8.62	PDSP Ki database
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	7.80	7.80	7.80	ChEMBL
α_2B	ADA2B	Rat	Adrenoceptors	A	pKi	8.74	8.74	8.74	PDSP Ki database
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	7.70	7.70	7.70	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.57	8.57	8.57	PDSP Ki database
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	7.00	7.00	7.00	ChEMBL

Showing 1 to 10 of 10 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.65	4.70	4.75	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.60	4.60	4.60	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL123349

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 ChEMBL_compound_ids PubChem GPCRdb
Ligand site mutations	α_2A

Compound is not listed as a drug.