Ammocidin-A |
Inhibitor of ATP5F1B
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ATP5F1B |
|
|
Inhibitor
3-50 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Target selectivity data for apoptolidin. ATP synthase resistance mutations in ATP5B or ATP5C elimina ...
Potency Cellular
In Vitro
ATP5F1B
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1038/s41589-021-00900-9
In Vivo Validations
Mouse
Dose: 100 mg/kg
Route of delivery:
Intraperitoneal
Organ of interest (O):
Blood, spleen, bone marrow.
DOI Reference: 10.1038/s41589-021-00900-9
Chemical Information
| Molecular Formula | C59H96O22 |
| SMILEs | COCCC[C@H]1O[C@@](O)([C@H](C)[C@@H]2C[C@H](OC)[C@H](O)/C=C(C)\C=C(C)/C=C(/C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](C)/C=C(C)\C=C(OC)/C=C(/C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@](C)(O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 |
| InChI | InChI=1S/C59H96O22/c1-29-20-30(2)24-40(60)43(72-15)27-42(77-55(67)34(6)25-39(71-14)23-31(3)22-33(5)50(32(4)21-29)79-56-49(64)48(63)47(62)36(8)76-56)35(7)59(69)54(73-16)53(66)58(12,44(80-59)18-17-19-70-13)81-45-26-41(61)51(37(9)74-45)78-46-28-57(11,68)52(65)38(10)75-46/h20-25,33,35-38,40-54,56,60-66,68-69H,17-19,26-28H2,1-16H3/b29-20-,30-24-,31-22-,32-21-,34-25-,39-23+/t33-,35-,36+,37-,38-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52-,53-,54-,56+,57-,58-,59+/m1/s1 |
| Molecular weight | 1156.64 Da |
| AlogP | 0.0 |
| HBond acceptors | 22 |
| HBond donors | 9 |
| Atoms | 177 |