MITOMYCIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01DC03
UNII 50SG953SK6
EPA CompTox DTXSID2020898

Structure

InChI Key NWIBSHFKIJFRCO-WUDYKRTCSA-N
Smiles CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
InChI
InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N4O5
Molecular Weight 334.33
AlogP -1.65
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 146.89
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR Wikipedia FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.34-4.01
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- 300 - - -
Cricetulus griseus
- 1.08-800 - - -
Electrophorus electricus
- - - - 4.01
Equus caballus
- - - - 3.34
Homo sapiens
103-960 1-993 - - 51.26-86
Micrococcus luteus
- 900 - - -
Mus musculus
- 48-600 - - 52.69-100
Staphylococcus aureus
330 900 - - -

Related Entries

Cross References

Resources Reference
ChEBI 27504
ChEMBL CHEMBL105
DrugBank DB00305
DrugCentral 1819
FDA SRS 50SG953SK6
Human Metabolome Database HMDB0014450
Guide to Pharmacology 7089
KEGG C06681
PharmGKB PA450524
PubChem 5746
SureChEMBL SCHEMBL3760
ZINC ZINC000030726187
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