GPCRdb

CHEMBL36622

Agent/drug
Bioactivity

CHEMBL36622

SMILES	COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1
InChIKey	GYSZUJHYXCZAKI-CQSZACIVSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	345.2

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKd	7.70	7.75	7.79	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pKi	7.95	7.95	7.95	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKd	7.64	7.64	7.64	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.14	7.14	7.14	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.98	7.98	7.98	ChEMBL
α_2A	ADA2A	Rat	Adrenoceptors	A	pKd	6.34	6.34	6.34	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	7.39	7.39	7.39	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.39	7.39	7.39	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.75	4.88	5.00	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	4.50	6.00	7.50	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL36622

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.