Trade Names: | |
Synonyms: | |
Status: | Approved (1965) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | N00W22YO2B |
Parent Compound: | VINBLASTINE |
InChI Key | KDQAABAKXDWYSZ-PNYVAJAMSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C46H60N4O13S |
Molecular Weight | 909.07 |
AlogP | 3.99 |
Hydrogen Bond Acceptor | 12.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 154.1 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 59.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 0 | |
Structural protein
|
- | 130-130 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hodgkin Disease | 4 | D006689 | ClinicalTrials |
Lymphoma | 4 | D008223 | ClinicalTrials |
Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
Testicular Neoplasms | 3 | D013736 | ClinicalTrials |
Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
Uterine Cervical Neoplasms | 3 | D002583 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
Lung Neoplasms | 3 | D008175 | ClinicalTrials |
Neoplasms, Germ Cell and Embryonal | 3 | D009373 | ClinicalTrials |
Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Fibromatosis, Aggressive | 2 | D018222 | ClinicalTrials |
Kidney Neoplasms | 2 | D007680 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Urethral Neoplasms | 2 | D014523 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Mesothelioma | 2 | D008654 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL378544 |
EPA CompTox | DTXSID7047853 |
FDA SRS | N00W22YO2B |
Guide to Pharmacology | 6851 |
PDB | VLB |
PubChem | 5388983 |
SureChEMBL | SCHEMBL3549 |
ZINC | ZINC85432544 |