Trade Names: | |
Synonyms: | |
Status: | Approved (1974) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 82F2G7BL4E |
Parent Compound: | DOXORUBICIN |
InChI Key | MWWSFMDVAYGXBV-RUELKSSGSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C27H30ClNO11 |
Molecular Weight | 579.99 |
AlogP | 0.0 |
Hydrogen Bond Acceptor | 12.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 206.07 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 39.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 10 | |
Enzyme
Isomerase
|
- | 940 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 96910 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Carcinoma | 4 | D002277 | ClinicalTrials |
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Osteosarcoma | 4 | D012516 | ClinicalTrials |
Sarcoma | 4 | D012509 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 4 | D008228 | ClinicalTrials |
Breast Neoplasms | 4 | D001943 | ClinicalTrials |
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Breast Neoplasms | 4 | D001943 | ClinicalTrials |
Sarcoma | 4 | D012509 | ClinicalTrials |
Hodgkin Disease | 4 | D006689 | ClinicalTrials |
Histiocytoma | 3 | D051642 | ClinicalTrials |
Lymphoma | 3 | D008223 | ClinicalTrials |
Mesothelioma | 3 | D008654 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Lymphoma, Large B-Cell, Diffuse | 3 | D016403 | ClinicalTrials |
Leukemia | 3 | D007938 | ClinicalTrials |
Neuroblastoma | 3 | D009447 | ClinicalTrials |
Uterine Neoplasms | 3 | D014594 | ClinicalTrials |
Hepatoblastoma | 3 | D018197 | ClinicalTrials |
Inflammatory Breast Neoplasms | 3 | D058922 | ClinicalTrials |
Peritoneal Neoplasms | 3 | D010534 | ClinicalTrials |
Wilms Tumor | 3 | D009396 | ClinicalTrials |
Adrenal Cortex Neoplasms | 3 | D000306 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Pheochromocytoma | 3 | D010673 | ClinicalTrials |
Ganglioneuroblastoma | 3 | D018305 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
Peritoneal Neoplasms | 3 | D010534 | ClinicalTrials |
Kidney Neoplasms | 3 | D007680 | ClinicalTrials |
Liver Neoplasms | 3 | D008113 | ClinicalTrials |
Urethral Neoplasms | 3 | D014523 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Endometrial Neoplasms | 3 | D016889 | ClinicalTrials |
Lymphohistiocytosis, Hemophagocytic | 3 | D051359 | ClinicalTrials |
Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054218 | ClinicalTrials |
Leiomyosarcoma | 3 | D007890 | ClinicalTrials |
Liposarcoma | 3 | D008080 | ClinicalTrials |
Neurilemmoma | 3 | D009442 | ClinicalTrials |
Sarcoma, Synovial | 3 | D013584 | ClinicalTrials |
Hemangiosarcoma | 3 | D006394 | ClinicalTrials |
Sarcoma, Alveolar Soft Part | 3 | D018234 | ClinicalTrials |
Mesenchymoma | 3 | D008637 | ClinicalTrials |
Fibrosarcoma | 3 | D005354 | ClinicalTrials |
Hemangiopericytoma | 3 | D006393 | ClinicalTrials |
Dermatofibrosarcoma | 3 | D018223 | ClinicalTrials |
Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
Blast Crisis | 2 | D001752 | ClinicalTrials |
Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
Thyroid Carcinoma, Anaplastic | 2 | D065646 | ClinicalTrials |
Carcinoma, Renal Cell | 2 | D002292 | ClinicalTrials |
Leukemia, Biphenotypic, Acute | 2 | D015456 | ClinicalTrials |
Lymphoma, T-Cell, Peripheral | 2 | D016411 | ClinicalTrials |
Stomach Neoplasms | 2 | D013274 | ClinicalTrials |
Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
Lymphoma, Large-Cell, Anaplastic | 2 | D017728 | ClinicalTrials |
Carcinoma, Adenoid Cystic | 2 | D003528 | ClinicalTrials |
Rhabdomyosarcoma | 2 | D012208 | ClinicalTrials |
Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Breast Neoplasms, Male | 2 | D018567 | ClinicalTrials |
Purpura, Thrombocytopenic, Idiopathic | 2 | D016553 | ClinicalTrials |
Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
Leukemia, Lymphocytic, Chronic, B-Cell | 2 | D015451 | ClinicalTrials |
Rhabdomyosarcoma, Embryonal | 2 | D018233 | ClinicalTrials |
Lymphoma, AIDS-Related | 2 | D016483 | ClinicalTrials |
Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
Retinoblastoma | 2 | D012175 | ClinicalTrials |
Acquired Immunodeficiency Syndrome | 2 | D000163 | ClinicalTrials |
Burkitt Lymphoma | 2 | D002051 | ClinicalTrials |
Leukemia, Biphenotypic, Acute | 2 | D015456 | ClinicalTrials |
Rhabdomyosarcoma, Alveolar | 2 | D018232 | ClinicalTrials |
Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
Sarcoma, Ewing | 1 | D012512 | ClinicalTrials |
Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
Myelodysplastic-Myeloproliferative Diseases | 1 | D054437 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Breast Carcinoma In Situ | 1 | D000071960 | ClinicalTrials |
Leukemia, Plasma Cell | 1 | D007952 | ClinicalTrials |
Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 31522 |
ChEMBL | CHEMBL359744 |
EPA CompTox | DTXSID3030636 |
FDA SRS | 82F2G7BL4E |
Guide to Pharmacology | 7069 |
KEGG | C01661 |
PDB | DM2 |
PubChem | 443939 |
SureChEMBL | SCHEMBL3242 |
ZINC | ZINC03918087 |