| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1987) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | U6USW86RD0 |
| Parent Compound: | MITOXANTRONE |
Structure
| InChI Key | MKCBCZDNNZPMCG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H30Cl2N4O6 |
| Molecular Weight | 517.41 |
| AlogP | -0.14 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 8.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 163.18 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 32.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 2500 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
CAMK protein kinase group
CAMK protein kinase PIM family
|
- | 50.9 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 11.99 | |
|
Enzyme
|
- | 2000 | - | - | 11.99 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 15.97-28.59 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 4 | D009103 | ClinicalTrials |
| Prostatic Neoplasms | 4 | D011471 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
| Leukemia, Promyelocytic, Acute | 3 | D015473 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
| Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Leukemia, Lymphoid | 3 | D007945 | ClinicalTrials |
| Sarcoma, Myeloid | 3 | D023981 | ClinicalTrials |
| Sarcoma, Myeloid | 3 | D023981 | ClinicalTrials |
| Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 3 | D016411 | ClinicalTrials |
| Nasopharyngeal Neoplasms | 3 | D009303 | ClinicalTrials |
| Neuromyelitis Optica | 2 | D009471 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 2 | D015451 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Nasopharyngeal Carcinoma | 2 | D000077274 | ClinicalTrials |
| Leukemia, Prolymphocytic | 2 | D015463 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Leukemia, Biphenotypic, Acute | 2 | D015456 | ClinicalTrials |
| Granuloma, Lethal Midline | 2 | D006103 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Multiple Myeloma | 2 | D009101 | ClinicalTrials |
| Sarcoma | 1 | D012509 | ClinicalTrials |
| Lymphoma, T-Cell | 1 | D016399 | ClinicalTrials |
| Stomach Neoplasms | 1 | D013274 | ClinicalTrials |
| Leukemia, Myeloid | 1 | D007951 | ClinicalTrials |
| Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 50727 |
| ChEMBL | CHEMBL1417019 |
| EPA CompTox | DTXSID0045173 |
| FDA SRS | U6USW86RD0 |
| Guide to Pharmacology | 7242 |
| KEGG | C11195 |
| PDB | MIX |
| PubChem | 51082 |
| SureChEMBL | SCHEMBL3928 |
| ZINC | ZINC03794794 |
CONTENTS