MEN1611

Ligand id: 7743

Name: MEN1611

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 135.81
Molecular weight 377.13
XLogP 0.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
Synonyms
CH 5132799 | CH-5132799 | CH5132799
Comments
MEN1611 (formerly CH5132799) is described as a potent, orally available class I PI3K inhibitor [1]. Clinical development of CH5132799 has been licenced to Menarini Pharma from Chugai Pharmaceutical Co, hence the change in research code.
Database Links
CAS Registry No. 1007207-67-1
ChEMBL Ligand CHEMBL1684984
GtoPdb PubChem SID 223366076
PubChem CID 49784945
RCSB PDB Ligand MMD
Search Google for chemical match using the InChIKey JEGHXKRHKHPBJD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JEGHXKRHKHPBJD
Search UniChem for chemical match using the InChIKey JEGHXKRHKHPBJD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JEGHXKRHKHPBJD
SynPHARM 80292 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)