GPCRdb

CHEMBL1774995

Agent/drug
Bioactivity

CHEMBL1774995

SMILES	O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I
InChIKey	IUEHDTRLKKNLDW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	554.1

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	6.75	6.75	6.75	ChEMBL
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	7.60	7.60	7.60	ChEMBL
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	6.74	6.74	6.74	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.85	9.02	9.19	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.57	6.57	6.57	ChEMBL
5-HT₇	5HT7R	Human	5-Hydroxytryptamine	A	pKi	7.30	7.30	7.30	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	6.05	6.05	6.05	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	8.82	8.82	8.82	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1774995

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.