Payload Information
General Information of This Payload
| Payload ID | PAY0AIVEA |
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|---|---|---|---|---|---|---|
| Name | 14b 39321689 |
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| Synonyms |
14b
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| Target | DNA topoisomerase I (TOP1) | |||||
| Formula | C27H28FN3O6 |
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| Isosmiles | CC[C@]1(O)C(C=C2C3=NC4=CC(F)=C(C)C=C4C(CNC(CO)=O)=C3CN52)=C(COC([C@H]1CC)=O)C5=O |
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| InChI |
InChI=1S/C27H28FN3O6/c1-4-18-26(35)37-12-17-19(27(18,36)5-2)7-22-24-16(10-31(22)25(17)34)15(9-29-23(33)11-32)14-6-13(3)20(28)8-21(14)30-24/h6-8,18,32,36H,4-5,9-12H2,1-3H3,(H,29,33)/t18-,27-/m1/s1
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| InChIKey |
BIVGEFWDSQRVMK-DNOBIOAJSA-N
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| Pharmaceutical Properties | Molecule Weight |
509.534 |
Polar area |
130.75 |
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Complexity |
1487.177866 |
xlogp Value |
2.16182 |
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Heavy Count |
37 |
Rot Bonds |
5 |
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Hbond acc |
8 |
Hbond Donor |
3 |
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The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half Maximal Inhibitory Concentration (IC50) | 2.83۪.14 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 2.83۪.14 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 21.57ۭ.84 | nM |
NCI-N87 cells
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Gastric tubular adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 21.57ۭ.84 | nM |
NCI-N87 cells
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Gastric tubular adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 6.60۪.96 | nM |
SK-BR-3 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 6.60۪.96 | nM |
SK-BR-3 cells
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Breast adenocarcinoma
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[1] |
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
Tras-16b [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
19.33 nM
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High HER2 expression (HER2+++; >300,000 HER2 molecules/cell) | ||
| Method Description |
MDA-MB-468, NCI-N87 and SK-BR-3 were seeded per well in a 96-well plate and grew for 24 h. Then cells were exposed to DXd, exatecan, homocamtothecins or Enhertu and further incubated for 72 h. The cell viability and proliferation behavior were assessed by the MTT assay. For each compound, inhibitory concentration values (IC50, EC50) were determined using the GraphPad Prism 6.0 Software for MDA-MB-468, NCI-N87 and SK-BR-3 cells.
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||
References