1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea — MultiTargetDB

Molecule Details

InChIKey	`JJHXPDTVQKWKHA-UHFFFAOYSA-N`
Compound Name	1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
Canonical SMILES	`O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	7.72
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB07360
Drug Name	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CAS Number	nan
Groups	experimental
ATC Codes	nan
Description	nan

Cross-references: BindingDB: 26315 CHEMBL472193 ChemSpider: 23331485 PDB: AK1 PubChem:24880024 PubChem:99443831 ZINC: ZINC000020149037

Target Activities (3)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q96GD4	AURKB	Homo sapiens	Human	PF00069	7.8	IC50	ChEMBL;BindingDB
O14965	AURKA	Homo sapiens	Human	PF00069	7.7	IC50	ChEMBL;BindingDB
O75716	STK16	Homo sapiens	Human	PF00069	7.7	pIC50	TTD_MultiTarget

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
O14965	AURKA	Aurora kinase A	binder	targets