epothilone B
(QXRSDHAAWVKZLJ-PVYNADRNSA-N)
Structure
- SMILES
- O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C
- Type(s)
- Experimental; Investigational
- Molecular Formula:
- C27H41NO6S
- Molecular Weight:
- 507.683
- Log P:
- 4.4775
- Hydrogen Bond Acceptor:
- 8
- Hydrogen Bond Donor:
- 2
- TPSA:
- 137.49
- CAS Number(s):
- 152044-54-7
Synonym(s)
1.
epothilone B
2.
EPO906
3.
epothilon B
4.
patupilone
External Link(s)
| MeSH | C093788 |
| PubChem Compound | 448013 |
| BindingDB | 50103627 |
| ChEBI | 94639 31550 |
| CHEMBL | CHEMBL94657 |
| DrugBank | DB03010 |
| KEGG | cpd:C12154 |
| Therapeutic Target Database | D0CV7Z |
| ZINC | 3951737 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Necrosis | 22995584 | CTD | |
| 2 | Peripheral Nervous System Diseases | 26883566 | CTD |
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