gedatolisib

Ligand id: 7940

Name: gedatolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 128.29
Molecular weight 615.33
XLogP 2.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
International Nonproprietary Names
INN number INN
9984 gedatolisib
Synonyms
PF-05212384 | PKI 587 | PKI-587
Database Links
CAS Registry No. 1197160-78-3
ChEMBL Ligand CHEMBL592445
PubChem CID 44516953
Search Google for chemical match using the InChIKey DWZAEMINVBZMHQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DWZAEMINVBZMHQ
Search PubMed clinical trials gedatolisib
Search PubMed titles gedatolisib
Search PubMed titles/abstracts gedatolisib
Search UniChem for chemical match using the InChIKey DWZAEMINVBZMHQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DWZAEMINVBZMHQ
Comments
Gedatolisib is an orally bioavailable small molecule inhibitor of phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) with potential antineoplastic activity [1-3].