INK-128

Ligand id: 7933

Name: INK-128

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 121.67
Molecular weight 309.13
XLogP 1.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Synonyms
INK 128 | INK128 | MLN0128 | TAK-228
Database Links
CAS Registry No. 1224844-38-5
PubChem CID 45375953
Search Google for chemical match using the InChIKey GYLDXIAOMVERTK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GYLDXIAOMVERTK
Search UniChem for chemical match using the InChIKey GYLDXIAOMVERTK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GYLDXIAOMVERTK
Comments
INK128 is an ATP-competitive inhibitor of mTOR in mTORC1 and mTORC2 complexes, exhibiting potent anti-tumour activity [1-3].