| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1954) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01AB01 |
| UNII: | G1LN9045DK |
Structure
| InChI Key | COVZYZSDYWQREU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O6S2 |
| Molecular Weight | 246.31 |
| AlogP | -0.28 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 86.74 |
| Molecular species | None |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 14.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -0.52 | - | EXP |
| Henry's Law Constant | 5.16E-10 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 4.71E-12 | cm3/molecule-sec | EST |
| Melting Point | 287 dec | deg C | EXP |
| Water Solubility | 6.90E+04 | mg/L | EST |
| Vapor Pressure | 6.65E-06 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | 5215 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 3.327 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -16.64--4.34 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113.68 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Leukemia | 4 | D007938 | ClinicalTrials |
| Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
| Leukemia, Monocytic, Acute | 3 | D007948 | ClinicalTrials |
| Sarcoma, Ewing | 3 | D012512 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
| Multiple Myeloma | 3 | D009101 | ClinicalTrials |
| Leukemia, Myelomonocytic, Acute | 3 | D015479 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Neuroblastoma | 3 | D009447 | ClinicalTrials |
| Sarcoma | 3 | D012509 | ClinicalTrials |
| Leukemia, Megakaryoblastic, Acute | 3 | D007947 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
| Leukemia, Basophilic, Acute | 3 | D015471 | ClinicalTrials |
| Leukemia, Myelomonocytic, Chronic | 3 | D015477 | ClinicalTrials |
| Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
| Anemia, Refractory | 3 | D000753 | ClinicalTrials |
| Anemia, Refractory, with Excess of Blasts | 3 | D000754 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Graft vs Host Disease | 3 | D006086 | ClinicalTrials |
| Ganglioneuroblastoma | 3 | D018305 | ClinicalTrials |
| Thrombosis | 3 | D013927 | ClinicalTrials |
| Thrombocythemia, Essential | 3 | D013920 | ClinicalTrials |
| Fanconi Anemia | 2 | D005199 | ClinicalTrials |
| Myeloproliferative Disorders | 2 | D009196 | ClinicalTrials |
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Severe Combined Immunodeficiency | 2 | D016511 | ClinicalTrials |
| Osteopetrosis | 2 | D010022 | ClinicalTrials |
| Gangliosidosis, GM1 | 2 | D016537 | ClinicalTrials |
| Hodgkin Disease | 2 | D006689 | ClinicalTrials |
| Gaucher Disease | 2 | D005776 | ClinicalTrials |
| Granulomatous Disease, Chronic | 2 | D006105 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Adrenoleukodystrophy | 2 | D000326 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 2 | D015451 | ClinicalTrials |
| Leukodystrophy, Metachromatic | 2 | D007966 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Primary Myelofibrosis | 2 | D055728 | ClinicalTrials |
| Wolman Disease | 2 | D015223 | ClinicalTrials |
| Neuronal Ceroid-Lipofuscinoses | 2 | D009472 | ClinicalTrials |
| Signs and Symptoms | 2 | D012816 | ClinicalTrials |
| Hematologic Diseases | 2 | D006402 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 2 | D008228 | ClinicalTrials |
| Leukemia, Plasma Cell | 2 | D007952 | ClinicalTrials |
| Breast Neoplasms, Male | 2 | D018567 | ClinicalTrials |
| Leukemia, Myelomonocytic, Juvenile | 2 | D054429 | ClinicalTrials |
| Inflammatory Breast Neoplasms | 2 | D058922 | ClinicalTrials |
| Lymphoma, AIDS-Related | 2 | D016483 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
| Thalassemia | 2 | D013789 | ClinicalTrials |
| beta-Thalassemia | 2 | D017086 | ClinicalTrials |
| Plasmacytoma | 2 | D010954 | ClinicalTrials |
| Histiocytosis, Langerhans-Cell | 2 | D006646 | ClinicalTrials |
| Epidermolysis Bullosa | 2 | D004820 | ClinicalTrials |
| Hemoglobinopathies | 2 | D006453 | ClinicalTrials |
| Neoplasms, Plasma Cell | 2 | D054219 | ClinicalTrials |
| Myeloproliferative Disorders | 2 | D009196 | ClinicalTrials |
| Immune System Diseases | 2 | D007154 | ClinicalTrials |
| Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
| Niemann-Pick Diseases | 2 | D009542 | ClinicalTrials |
| Kidney Neoplasms | 2 | D007680 | ClinicalTrials |
| Severe Combined Immunodeficiency | 2 | D016511 | ClinicalTrials |
| Lymphoma, T-Cell | 2 | D016399 | ClinicalTrials |
| Lymphoma, Follicular | 2 | D008224 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Primary Myelofibrosis | 2 | D055728 | ClinicalTrials |
| Immunologic Deficiency Syndromes | 2 | D007153 | ClinicalTrials |
| Myelodysplastic-Myeloproliferative Diseases | 2 | D054437 | ClinicalTrials |
| Fucosidosis | 2 | D005645 | ClinicalTrials |
| Leukodystrophy, Globoid Cell | 2 | D007965 | ClinicalTrials |
| Sandhoff Disease | 2 | D012497 | ClinicalTrials |
| Tay-Sachs Disease | 2 | D013661 | ClinicalTrials |
| Anemia | 1 | D000740 | ClinicalTrials |
| X-Linked Combined Immunodeficiency Diseases | 1 | D053632 | ClinicalTrials |
| Brain Neoplasms | 1 | D001932 | ClinicalTrials |
| Chordoma | 1 | D002817 | ClinicalTrials |
| Melanoma | 1 | D008545 | ClinicalTrials |
| Leukemia, Myeloid | 1 | D007951 | ClinicalTrials |
| Osteogenesis Imperfecta | 1 | D010013 | ClinicalTrials |
| Blast Crisis | 1 | D001752 | ClinicalTrials |
| Genetic Diseases, Inborn | 1 | D030342 | ClinicalTrials |
| X-Linked Combined Immunodeficiency Diseases | 1 | D053632 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Wiskott-Aldrich Syndrome | 1 | D014923 | ClinicalTrials |
| Liver Neoplasms | 1 | D008113 | ClinicalTrials |
| Acquired Immunodeficiency Syndrome | 1 | D000163 | ClinicalTrials |
| Neoplasms, Germ Cell and Embryonal | 1 | D009373 | ClinicalTrials |
| Retinoblastoma | 1 | D012175 | ClinicalTrials |
| Ovarian Neoplasms | 1 | D010051 | ClinicalTrials |
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55-98-1 |
| ChEBI | 28901 |
| ChEMBL | CHEMBL820 |
| DrugBank | DB01008 |
| DrugCentral | 438 |
| EPA CompTox | DTXSID3020910 |
| FDA SRS | G1LN9045DK |
| Human Metabolome Database | HMDB15143 |
| Guide to Pharmacology | 7136 |
| KEGG | C06862 |
| PharmGKB | PA448691 |
| PubChem | 2478 |
| SureChEMBL | SCHEMBL4373 |
| ZINC | ZINC000001530572 |
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