Payload Information
General Information of This Payload
| Payload ID | PAY0XMNZZ |
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| Name | PBX-7016 |
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| Synonyms |
PBX-7016
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| Target | DNA topoisomerase I (TOP1) | |||||
| Structure |
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| Formula | C27H25N3O8 |
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| Isosmiles | CC[C@@]1(C(C=C2C3=NC4=C5C([C@H](CCC5=C6OCOC6=C4)NC([C@H](O)C)=O)=C3CN2C7=O)=C7COC1=O)O |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C27H25N3O8/c1-3-27(35)15-6-18-22-13(8-30(18)25(33)14(15)9-36-26(27)34)21-16(29-24(32)11(2)31)5-4-12-20(21)17(28-22)7-19-23(12)38-10-37-19/h6-7,11,16,31,35H,3-5,8-10H2,1-2H3,(H,29,32)/t11-,16+,27+/m1/s1
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| InChIKey |
LKIONTQYHDYZJF-ZHJPETKGSA-N
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| Pharmaceutical Properties | Molecule Weight |
519.51 |
Polar area |
149.21 |
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Complexity |
1616.697235 |
xlogp Value |
1.2926 |
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Heavy Count |
38 |
Rot Bonds |
3 |
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Hbond acc |
10 |
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) | 0.7548 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.7548 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.9129 | nM |
FaDu cells
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Hypopharyngeal squamous cell carcinoma
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.9129 | nM |
FaDu cells
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Hypopharyngeal squamous cell carcinoma
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 1.75 | nM |
MDA-MB-453 cells
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Breast adenocarcinoma
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 1.75 | nM |
MDA-MB-453 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
Tra-25-6 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [2] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.05973 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Cell viability analysis of MDA-MB-453 (HER2+++) cell line, FaDu (HER2+) cell line and MDA-MB-468 (HER2-) cell line in vitro.
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| In Vitro Model | Breast adenocarcinoma | MDA-MB-453 cells | CVCL_0418 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [2] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
51.02 nM
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Low HER2 expression (HER2+) | ||
| Method Description |
Cell viability analysis of MDA-MB-453 (HER2+++) cell line, FaDu (HER2+) cell line and MDA-MB-468 (HER2-) cell line in vitro.
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| In Vitro Model | Hypopharyngeal squamous cell carcinoma | FaDu cells | CVCL_1218 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [2] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
174.8 nM
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Negative HER2 expression (HER2-) | ||
| Method Description |
Cell viability analysis of MDA-MB-453 (HER2+++) cell line, FaDu (HER2+) cell line and MDA-MB-468 (HER2-) cell line in vitro.
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| In Vitro Model | Breast adenocarcinoma | MDA-MB-468 cells | CVCL_0419 | ||
References