milciclib

Ligand id: 7938

Name: milciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.21
Molecular weight 460.27
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,1,4,4-tetramethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
International Nonproprietary Names
INN number INN
9443 milciclib
Synonyms
PHA 848125 | PHA-848125 | PHA848125
Database Links
CAS Registry No. 802539-81-7
ChEMBL Ligand CHEMBL564829
PubChem CID 16718576
RCSB PDB Ligand P48
Search Google for chemical match using the InChIKey RXZMYLDMFYNEIM-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey RXZMYLDMFYNEIM-UHFFFAOYSA-N
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SynPHARM 80839 (in complex with cyclin dependent kinase 2)
Comments
Milciclib is an orally bioavailable inhibitor of cyclin-dependent kinases (CDKs) and neurotrophic tyrosine kinase, receptor, type 1 (aka TRKA) [1]. It is compound 28 in Brasca et al (2009) [1].