GPCRdb

CHEMBL129813

Agent/drug
Bioactivity

CHEMBL129813

SMILES	CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc23)CC1
InChIKey	ZKDTULNFGWCQJA-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	502.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.85	7.85	7.85	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	9.37	9.37	9.37	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	9.35	9.35	9.35	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	7.60	7.60	7.60	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL129813

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.