CHEBI:63452 - midostaurin

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ChEBI Name midostaurin
ChEBI ID CHEBI:63452
Definition An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
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Formula C35H30N4O4
Net Charge 0
Average Mass 570.63710
Monoisotopic Mass 570.22671
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
InChIKey BMGQWWVMWDBQGC-IIFHNQTCSA-N
SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Roles Classification
Biological Role(s): EC 2.7.11.13 (protein kinase C) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing midostaurin (CHEBI:63452) has functional parent staurosporine (CHEBI:15738)
midostaurin (CHEBI:63452) has role antineoplastic agent (CHEBI:35610)
midostaurin (CHEBI:63452) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
midostaurin (CHEBI:63452) is a γ-lactam (CHEBI:74222)
midostaurin (CHEBI:63452) is a benzamides (CHEBI:22702)
midostaurin (CHEBI:63452) is a indolocarbazole (CHEBI:51915)
midostaurin (CHEBI:63452) is a organic heterooctacyclic compound (CHEBI:38165)
IUPAC Name
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
INN Source
midostaurin ChemIDplus
Synonyms Sources
4'-N-benzoylstaurosporine ChemIDplus
benzoylstaurosporine ChemIDplus
CGP 41251 ChemIDplus
CGP-41251 ChemIDplus
PKC 412 ChemIDplus
PKC412 ChemIDplus
Manual Xrefs Databases
D05029 KEGG DRUG
LSM-2287 LINCS
Midostaurin Wikipedia
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Registry Numbers Types Sources
120685-11-2 CAS Registry Number ChemIDplus
7345336 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20980353 PubMed citation Europe PMC
Last Modified
24 February 2016
Submitter Remark
2011-12-20 10:56:23.0 Bijay http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9829523&loc=ec_rcs
2011-12-20 10:56:02.0 Bijay See link for structure and details