General Information of the Compound
| Compound ID |
CP0016677
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| Compound Name |
N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
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| Synonyms |
CPG 41251
120685-11-2
4'-N-Benzoylstaurosporine
Benzoylstaurosporine
CGP 41231
CGP-41251
CHEBI:63452
CHEMBL608533
Cgp 41 251
Cgp 41251
ID912S5VON
Midostaurin
Midostaurin (PKC412)
Midostaurin (USAN/INN)
Midostaurin [USAN:INN]
N-Benzoylstaurosporine
N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
PKC 412
PKC-412
PKC-412(Midostaurin)
PKC412
RYDAPT
Rydapt (TN)
UNII-ID912S5VON
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| Structure |
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| Formula |
C35H30N4O4
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| Molecular Weight |
570.649
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| Canonical SMILES |
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
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| InChI |
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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| InChIKey |
BMGQWWVMWDBQGC-IIFHNQTCSA-N
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| CAS |
120685-11-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound
Drug 1 ( Midostaurin )
| Drug Name | Midostaurin | ||
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| Company | Novartis | ||
| Indication | |||
| Target(s) |
Fms-like tyrosine kinase 3 (FLT-3)
Inhibitor
Protein kinase C gamma (PRKCG)
Inhibitor
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