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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608533
CHEMBL608533
Compound Name MIDOSTAURIN
ChEMBL Synonyms RYDAPT | CGP 41251 | PKC 412 | MIDOSTAURIN | NVP-PKC412 | PKC-412
Max Phase 4 (Approved)
Trade Names RYDAPT
Molecular Formula C35H30N4O4

Additional synonyms for CHEMBL608533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8c ...
Download SMILES
Standard InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6- ...
Download InChI
Standard InChI Key BMGQWWVMWDBQGC-IIFHNQTCSA-N

Sources

  • Clinical Candidates
  • K4DD Project
  • Orange Book
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL608533

Molecule Features

CHEMBL608533 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:Y Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Platelet-derived growth factor receptor inhibitor Platelet-derived growth factor receptor PubMed PubMed
Protein kinase C (PKC) inhibitor Protein kinase C (PKC) PubMed PubMed
Stem cell growth factor receptor inhibitor Stem cell growth factor receptor PubMed PubMed
Tyrosine-protein kinase receptor FLT3 inhibitor Tyrosine-protein kinase receptor FLT3 PubMed PubMed
Vascular endothelial growth factor receptor 2 inhibitor Vascular endothelial growth factor receptor 2 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Mastocytosis, SystemicD0347214FDA
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome2ClinicalTrials
Leukemia, Mast-CellD007946EFO:0007359mast-cell leukemia4FDA
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia4ClinicalTrials
FDA
Hematologic DiseasesD006402HP:0001871abnormality of blood and blood-forming tissues2ClinicalTrials
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials
Rectal NeoplasmsD012004EFO:1000657rectum cancer1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC

Clinical Data

ClinicalTrials.gov MIDOSTAURIN
The Cochrane Collaboration MIDOSTAURIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
570.7 570.2267 5.91 3 77.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.89 5.89 6 43 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL608533. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE39 - midostaurin

ChemSpider ChemSpider:BMGQWWVMWDBQGC-IIFHNQTCSA-N
DailyMed midostaurin
PubChem SID: 124950161
Wikipedia Midostaurin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608533



BindingDB 50326053
Brenda 146800 216818
ChEBI 63452
ChemicalBook CB71315281
DrugBank DB06595
DrugCentral 5231
eMolecules 27315532
FDA SRS ID912S5VON
Guide to Pharmacology 5702
IBM Patent System EDCB6ECD02C092256859238EF9659DC5
LINCS LSM-2287
MolPort MolPort-023-276-626
Nikkaji J1.312.230J
PDBe 2K2
PubChem 9829523
PubChem: Drugs of the Future 22395186
PubChem: Thomson Pharma 14788708 14935507
Selleck midostaurin-pkc412
SureChEMBL SCHEMBL8295379
ZINC ZINC000100013130

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BMGQWWVMWDBQGC-IIFHNQTCSA-N spacer
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