GPCRdb

(R)-ZINC-3573

Agent/drug
Bioactivity

(R)-ZINC-3573

SMILES	CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1
InChIKey	XKBSPAZCFAIBJL-OAHLLOKOSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	3
Molecular weight (Da)	307.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7S8O 7S8N

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	5.79	5.79	5.80	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.49	5.50	5.50	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	5.76	5.76	5.77	ChEMBL
5-HT₆	5HT6R	Human	5-Hydroxytryptamine	A	pKi	6.13	6.13	6.13	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.43	6.43	6.45	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MRGPRX2	MRGX2	Human	A orphans	A	pEC50	6.12	6.12	6.12	Guide to Pharmacology
MRGPRX2	MRGX2	Human	A orphans	A	pEC50	6.00	6.06	6.13	ChEMBL

Showing 1 to 2 of 2 entries

(R)-ZINC-3573

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	7S8O 7S8N

Compound is not listed as a drug.