ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL105
CHEMBL105
Compound Name MITOMYCIN
ChEMBL Synonyms Mytozytrex | Mitomycin | MITOSOL | MITOMYCIN C | MUTAMYCIN | NSC-26980 | Mitozytrex
Max Phase 4 (Approved)
Trade Names MITOSOL | MYTOZYTREX | MUTAMYCIN | Mitomycin | Mitozytrex
Molecular Formula C15H18N4O5

Additional synonyms for CHEMBL105 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O ...
Download SMILES
Standard InChI InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23- ...
Download InChI
Standard InChI Key NWIBSHFKIJFRCO-WUDYKRTCSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL105

Molecule Features

CHEMBL105 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NEOPLASMSD009369EFO:0000311CANCER4ClinicalTrials
CARCINOMAD002277EFO:0000313CARCINOMA3ClinicalTrials
PTERYGIUMD011625EFO:0000678PTERYGIUM2ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC
URINARY BLADDER NEOPLASMSD001749EFO:0000294BLADDER TUMOR3ClinicalTrials
CHOLANGITIS, SCLEROSINGD015209EFO:0004268SCLEROSING CHOLANGITIS2ClinicalTrials
GLAUCOMAD005901EFO:0000516GLAUCOMA4ClinicalTrials
MYOPIAD009216HP:0000545MYOPIA1ClinicalTrials
URINARY BLADDER NEOPLASMSD001749EFO:0000292BLADDER CARCINOMA3ClinicalTrials

Clinical Data

ClinicalTrials.gov MITOMYCIN
The Cochrane Collaboration MITOMYCIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL105. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2524 Alpha-galactosidase A Homo sapiens 0.230

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
334.3 334.1277 -1.55 4 146.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.27 5.08 -.3 -.3 0 24 0.52

Structural Alerts

There are 16 structural alerts for CHEMBL105. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01D - CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DC - Other cytotoxic antibiotics
L01DC03 - mitomycin

ChemSpider ChemSpider:NWIBSHFKIJFRCO-WUDYKRTCSA-N
DailyMed mitomycin
PubChem SID: 144205046 SID: 170464814 SID: 57260126 SID: 87663
Wikipedia Mitomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL105



ACToR 1404-00-8 144085-53-0
BindingDB 50428658
Brenda 151036 3150
ChEBI 27504
DrugBank DB00305
DrugCentral 1819
eMolecules 529286 29541174
EPA CompTox Dashboard DTXSID2020898
FDA SRS 50SG953SK6
Guide to Pharmacology 7089
Human Metabolome Database HMDB0014450
KEGG Ligand C06681
LINCS LSM-6310
Metabolights MTBLC27504
Nikkaji J64.512E
PharmGKB PA450524
PubChem 5746
PubChem: Thomson Pharma 14899962 14924490
SureChEMBL SCHEMBL3760
ZINC ZINC000030726187

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