Trade Names | |
Synonyms | |
Status | |
Molecule Category | Salt-form |
UNII | N00W22YO2B |
EPA CompTox | DTXSID7047853 |
Parent Compound: | VINBLASTINE |
InChI Key | KDQAABAKXDWYSZ-PNYVAJAMSA-N | |
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Smiles | ||
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 |
Protein: Tubulin Description: Tubulin beta-4A chain Organism : Homo sapiens P04350 ENSG00000104833 |
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Protein: Tubulin Description: Tubulin beta chain Organism : Homo sapiens P07437 ENSG00000196230 |
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Protein: Tubulin Description: Tubulin alpha-3C chain Organism : Homo sapiens P0DPH7 ENSG00000198033 |
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Protein: Tubulin Description: Tubulin alpha-1B chain Organism : Homo sapiens P68363 ENSG00000123416 |
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Protein: Tubulin Description: Tubulin alpha-4A chain Organism : Homo sapiens P68366 ENSG00000127824 |
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Protein: Tubulin Description: Tubulin beta-4B chain Organism : Homo sapiens P68371 ENSG00000188229 |
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Protein: Tubulin Description: Tubulin beta-3 chain Organism : Homo sapiens Q13509 ENSG00000258947 |
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Protein: Tubulin Description: Tubulin beta-2A chain Organism : Homo sapiens Q13885 ENSG00000137267 |
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Protein: Tubulin Description: Tubulin beta-8 chain Organism : Homo sapiens Q3ZCM7 ENSG00000261456 |
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Protein: Tubulin Description: Tubulin alpha-3E chain Organism : Homo sapiens Q6PEY2 ENSG00000152086 |
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Protein: Tubulin Description: Tubulin alpha-1A chain Organism : Homo sapiens Q71U36 ENSG00000167552 |
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Protein: Tubulin Description: Tubulin alpha-1C chain Organism : Homo sapiens Q9BQE3 ENSG00000167553 |
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Protein: Tubulin Description: Tubulin beta-6 chain Organism : Homo sapiens Q9BUF5 ENSG00000176014 |
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Protein: Tubulin Description: Tubulin beta-2B chain Organism : Homo sapiens Q9BVA1 ENSG00000137285 |
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Protein: Tubulin Description: Tubulin beta-1 chain Organism : Homo sapiens Q9H4B7 ENSG00000101162 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 0 | ||
Structural protein
|
- | 130-130 | - | - | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL378544 | |
FDA SRS | N00W22YO2B | |
Guide to Pharmacology | 6851 | |
PDB | VLB | |
PubChem | 5388983 | |
SureChEMBL | SCHEMBL3549 | |
ZINC | ZINC85432544 |