Synonyms: | |
Status: | Approved (1994) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | L01CA04 |
UNII: | Q6C979R91Y |
InChI Key | GBABOYUKABKIAF-IELIFDKJSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C45H54N4O8 |
Molecular Weight | 778.95 |
AlogP | 4.75 |
Hydrogen Bond Acceptor | 11.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 133.87 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 57.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 0 | |
Structural protein
|
- | 700-2000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Neoplasms | 4 | D009369 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
Rhabdomyosarcoma, Alveolar | 3 | D018232 | ClinicalTrials |
Rhabdomyosarcoma, Embryonal | 3 | D018233 | ClinicalTrials |
Mesothelioma | 3 | D008654 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Mesothelioma | 3 | D008654 | ClinicalTrials |
Uterine Cervical Neoplasms | 3 | D002583 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Carcinoma | 3 | D002277 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
Hodgkin Disease | 2 | D006689 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Hodgkin Disease | 2 | D006689 | ClinicalTrials |
Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Multiple Myeloma | 2 | D009101 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Lymphoma, Large-Cell, Anaplastic | 2 | D017728 | ClinicalTrials |
Carcinoma, Large Cell | 2 | D018287 | ClinicalTrials |
Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
Adenocarcinoma of Lung | 2 | D000077192 | ClinicalTrials |
Rhabdomyosarcoma | 2 | D012208 | ClinicalTrials |
Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
Diffuse Intrinsic Pontine Glioma | 2 | D000080443 | ClinicalTrials |
Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
Desmoplastic Small Round Cell Tumor | 1 | D058405 | ClinicalTrials |
Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 71486-22-1 |
ChEBI | 480999 |
ChEMBL | CHEMBL553025 |
DrugBank | DB00361 |
DrugCentral | 2827 |
EPA CompTox | DTXSID8040640 |
FDA SRS | Q6C979R91Y |
Guide to Pharmacology | 7105 |
PubChem | 5311497 |
SureChEMBL | SCHEMBL4765 |
ZINC | ZINC000085536958 |