midostaurin

Ligand id: 5702

Name: midostaurin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 77.73
Molecular weight 570.23
XLogP 6.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide
International Nonproprietary Names
INN number INN
7677 midostaurin
Synonyms
CGP 41231 | CGP 41251 | N-benzoylstaurosporine | PKC412 | Rydapt®
Database Links
CAS Registry No. 120685-11-2
ChEMBL Ligand CHEMBL608533
GtoPdb PubChem SID 178102329
PubChem CID 9829523
RCSB PDB Ligand 2K2
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Wikipedia Midostaurin
Comments
Midostaurin is an analogue of staurosporine, and was originally described as a PKC inhibitor [4]. It was later reported as an inhibitor of fms-related tyrosine kinase 3 (FLT3) [5].