N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine — MultiTargetDB

Molecule Details

InChIKey	`BACSZMCLZIDTIO-IBGZPJMESA-N`
Compound Name	N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
Canonical SMILES	`Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)ncc2F)n1C(C)C`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	8.7
Source	TTD_MultiTarget

2D Structure

2D structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB07936
Drug Name	N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine
CAS Number	nan
Groups	experimental
ATC Codes	nan
Description	nan

Cross-references: BindingDB: 50245865 CHEMBL460102 ChemSpider: 17270707 PDB: I19 PubChem:16113377 PubChem:99444407 ZINC: ZINC000035261946

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P06493	CDK1	Homo sapiens	Human	PF00069	8.7	pIC50	TTD_MultiTarget
P24941	CDK2	Homo sapiens	Human	PF00069	8.7	pIC50	TTD_MultiTarget

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P24941	CDK2	Cyclin-dependent kinase 2	binder	targets