Synonyms: | |
Status: | Approved (1990) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | L01DB06 |
UNII: | ZRP63D75JW |
InChI Key | XDXDZDZNSLXDNA-TZNDIEGXSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C26H27NO9 |
Molecular Weight | 497.5 |
AlogP | 1.02 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 176.61 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 36.0 |
Property Name | Value | Unit | Method |
---|---|---|---|
log P (octanol-water) | 2.100 | - | EST |
Atmospheric OH Rate Constant | 1.34E-10 | cm3/molecule-sec | EST |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Leukemia, Myelomonocytic, Chronic | 3 | D015477 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Leukemia, Monocytic, Acute | 3 | D007948 | ClinicalTrials |
Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
Leukemia, Promyelocytic, Acute | 3 | D015473 | ClinicalTrials |
Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
Leukemia | 3 | D007938 | ClinicalTrials |
Lymphoma | 3 | D008223 | ClinicalTrials |
Multiple Myeloma | 3 | D009101 | ClinicalTrials |
Anemia, Refractory | 3 | D000753 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
Sarcoma | 3 | D012509 | ClinicalTrials |
Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
Leukemia, Myelomonocytic, Acute | 3 | D015479 | ClinicalTrials |
Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
Leukemia, Megakaryoblastic, Acute | 3 | D007947 | ClinicalTrials |
Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
Anemia, Refractory, with Excess of Blasts | 3 | D000754 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
Liver Neoplasms | 2 | D008113 | ClinicalTrials |
Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 2 | D015464 | ClinicalTrials |
Blast Crisis | 2 | D001752 | ClinicalTrials |
Neutropenia | 2 | D009503 | ClinicalTrials |
Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 58957-92-9 |
ChEBI | 42068 |
ChEMBL | CHEMBL1117 |
DrugBank | DB01177 |
DrugCentral | 1414 |
EPA CompTox | DTXSID7023142 |
FDA SRS | ZRP63D75JW |
Human Metabolome Database | HMDB0015308 |
Guide to Pharmacology | 7083 |
PDB | DM5 |
PharmGKB | PA449961 |
PubChem | 42890 |
SureChEMBL | SCHEMBL3750 |
ZINC | ZINC000003920266 |