GPCRdb

CHEMBL19826

Agent/drug
Bioactivity

CHEMBL19826

SMILES	COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
InChIKey	XSHSZTXMXLVUME-INIZCTEOSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	5
Molecular weight (Da)	482.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	6.24	6.24	6.24	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pKi	5.77	5.77	5.77	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pKi	8.15	8.15	8.15	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.46	8.46	8.46	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.14	7.14	7.14	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Rat	Adrenoceptors	A	pIC50	5.70	5.70	5.70	ChEMBL
α_1A	ADA1A	Human	Adrenoceptors	A	pIC50	5.72	5.72	5.72	ChEMBL
α_1B	ADA1B	Rat	Adrenoceptors	A	pIC50	7.82	7.83	7.85	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pIC50	5.58	7.04	8.49	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL19826

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.