Compound Detail
CHEMBL298359
MITOMYCIN A 🧪 Phase III
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🧪 Phase III
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21
Basic Information
| ChEMBL ID | CHEMBL298359 |
| Name | MITOMYCIN A |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | HYFMSAFINFJTFH-NGSRAFSJSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
349.3
MW (Da)
-0.96
ALogP
8
HBA
2
HBD
130.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Carcinoma, Hepatocellular
Activity Summary
IC50 8 meas. best 10.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 10.28 | 9.7133 | 0.1 | 3 |
| P388 CHEMBL389 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| L1210 CHEMBL386 | IC50 | 9.52 | 9.08 | 0.3 | 2 |
| HeLa CHEMBL399 | IC50 | 8.62 | 8.62 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 0.052 | nM | 10.28 | Antitumor potency on human colon WIDR cell lines. | 1906109 |
| Nucleic Acid | IC50 | = | 0.22 | nM | 9.66 | Antitumor potency on human ovarian 2780 cell lines. | 1906109 |
| P388 | IC50 | = | 0.24 | nM | 9.62 | Antitumor potency on P388 leukemia cells in culture | 1906109 |
| L1210 | IC50 | = | 0.3 | nM | 9.52 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| Nucleic Acid | IC50 | = | 0.63 | nM | 9.2 | Antitumor potency on human breast MCF-7 cell lines. | 1906109 |
| L1210 | IC50 | = | 2.3 | nM | 8.64 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
| HeLa | IC50 | = | 2.4 | nM | 8.62 | In vitro anticellular activity against HeLa S3 cells | 8021919 |
| HeLa | IC50 | = | 2.4 | nM | 8.62 | In vitro anticellular activity tested against HeLa S3 cells | 8021918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 874953 | 10.1021/jm00216a006 | P388 | 18 |
| 7328599 | 10.1021/jm00140a012 | Mus musculus | 13 |
| 833812 | 10.1021/jm00211a029 | Escherichia coli | 6 |
| 874953 | 10.1021/jm00216a006 | Mus musculus | 6 |
| 833812 | 10.1021/jm00211a029 | Unchecked | 5 |
| 1906109 | 10.1021/jm00111a051 | Nucleic Acid | 3 |
| 2918519 | 10.1021/jm00123a036 | P388 | 3 |
| 8021919 | 10.1021/jm00038a009 | CCRF S-180 | 3 |
| 3806593 | 10.1021/jm00384a028 | P388 | 2 |
| 2918519 | 10.1021/jm00123a036 | B16 | 2 |
| 8496913 | 10.1021/jm00062a019 | Mus musculus | 2 |
| 7636865 | 10.1021/jm00016a005 | Mus musculus | 2 |
| 833812 | 10.1021/jm00211a029 | Staphylococcus aureus | 2 |
| 3806593 | 10.1021/jm00384a028 | B16 | 2 |
| 874953 | 10.1021/jm00216a006 | Unchecked | 2 |
| 1906107 | 10.1021/jm00111a004 | L1210 | 2 |
| 874953 | 10.1021/jm00216a006 | Escherichia coli | 2 |
| 3806593 | 10.1021/jm00384a028 | No relevant target | 1 |
| 8021919 | 10.1021/jm00038a009 | HeLa | 1 |
| 1906109 | 10.1021/jm00111a051 | P388 | 1 |
Data from ChEMBL 36 via Core Engine