Payload Information
General Information of This Payload
| Payload ID | PAY0FSRJA |
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| Name | WO2023232144A1, ADC-2, Payload |
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| Synonyms |
WO2023232144A1, ADC-2, Payload
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| Target | DNA topoisomerase I (TOP1) | |||||
| Structure |
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| Formula | C27H23ClFN3O6 |
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| Isosmiles | O=C1[C@@](C(C=C2C3=NC4=CC(F)=C(Cl)C5=C4C([C@@H](NC(C6(O)CC6)=O)CC5)=C3CN72)=C(C7=O)CO1)(O)CC |
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| InChI |
InChI=1S/C27H23ClFN3O6/c1-2-27(37)14-7-18-22-12(9-32(18)23(33)13(14)10-38-25(27)35)20-16(31-24(34)26(36)5-6-26)4-3-11-19(20)17(30-22)8-15(29)21(11)28/h7-8,16,36-37H,2-6,9-10H2,1H3,(H,31,34)/t16-,27+/m0/s1
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| InChIKey |
WTJWMIDVEAKQNT-RKOGDMNLSA-N
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| Pharmaceutical Properties | Molecule Weight |
539.947 |
Polar area |
130.75 |
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Complexity |
1646.255577 |
xlogp Value |
2.5005 |
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Heavy Count |
38 |
Rot Bonds |
3 |
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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) | 0.425 | nM |
FaDu cells
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Hypopharyngeal squamous cell carcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 0.425 | nM |
FaDu cells
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Hypopharyngeal squamous cell carcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 0.946 | nM |
BxPC-3 cells
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Pancreatic ductal adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 0.946 | nM |
BxPC-3 cells
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Pancreatic ductal adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 1.383 | nM |
HepG2 cells
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Hepatoblastoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 1.383 | nM |
HepG2 cells
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Hepatoblastoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 1.622 | nM |
HCC1954 cells
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Breast ductal carcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 1.622 | nM |
HCC1954 cells
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Breast ductal carcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 2.558 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 2.558 | nM |
MDA-MB-468 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 3.321 | nM |
SK-BR-3 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 3.321 | 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
wO2023232144A1ADC-2 [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) |
0.1076 nM
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Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to SK-BR-3 cells
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.4355 nM
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Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC to HCC1954 cells
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| In Vitro Model | Breast ductal carcinoma | HCC1954 cells | CVCL_1259 | ||
wO2023232144A1ADC-3 [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) |
0.1839 nM
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High TROP2 expression (TROP2 +++) | ||
| Method Description |
Cytotoxicity of ADC to FaDu cells
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| In Vitro Model | Hypopharyngeal squamous cell carcinoma | FaDu cells | CVCL_1218 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.1928 nM
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High TROP2 expression (TROP2 +++) | ||
| Method Description |
Cytotoxicity of ADC-2 to BxPC-3 cells
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| In Vitro Model | Pancreatic ductal adenocarcinoma | BxPC-3 cells | CVCL_0186 | ||
wO2023232144A1ADC-6 [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) | ≈ 0.3 nM | Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to SK-BR-3 cells
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) | ≈ 8 nM | Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to NCI-N87 cells
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||
References