compound 28 [PMID: 30624936]

Ligand id: 10195

Name: compound 28 [PMID: 30624936]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 91.81
Molecular weight 403.2
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6~{R})-6-methyl-4-oxo-5,6-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one
Comments
Compound 28 is a selective PIM1/2 kinase inhibitor that has been designed for therapeutic potential in treating hematological malignancies [1].
Database Links
GtoPdb PubChem SID 381118905
PubChem CID 135747628
RCSB PDB Ligand JYG
Search Google for chemical match using the InChIKey WPKXXVMGORDACP-GFCCVEGCSA-N
Search Google for chemicals with the same backbone WPKXXVMGORDACP
Search UniChem for chemical match using the InChIKey WPKXXVMGORDACP-GFCCVEGCSA-N
Search UniChem for chemicals with the same backbone WPKXXVMGORDACP
SynPHARM 85855 (in complex with Pim-1 proto-oncogene, serine/threonine kinase)