GPCRdb

CHEMBL1774991

Agent/drug
Bioactivity

CHEMBL1774991

SMILES	COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
InChIKey	YTOGOMGUCNEXIR-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	568.1

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	Human	Adrenoceptors	A	pKi	7.11	7.11	7.11	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	6.73	6.73	6.73	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	7.01	7.01	7.01	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.66	8.81	8.96	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.92	6.92	6.92	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	6.79	6.79	6.79	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.48	6.48	6.48	ChEMBL

Showing 1 to 7 of 7 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	8.59	8.59	8.59	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1774991

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.