Payload Information
General Information of This Payload
| Payload ID | PAY0FYHWB |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.57 Payload |
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| Synonyms |
Conjugate No.57 Payload
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| Structure |
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| Formula | C52H49N9O11 |
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| Isosmiles | C=C(C1)C[C@]([C@H](O)N(C2=CC(OCCCC(NC3=CN(C)C(C(NC4=CC=C(C5=CN(C)C(C(N6C=CC7=C6C=CC(C(O)=O)=C7)=O)=C5)C=C4)=O)=N3)=O)=C(OC)C=C28)C(OCC9=CC=C(N)C=C9)=O)([H])N1C8=O |
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| InChI |
InChI=1S/C52H49N9O11/c1-29-20-41-50(66)61(52(69)72-28-30-7-12-35(53)13-8-30)39-24-43(42(70-4)23-37(39)48(64)60(41)25-29)71-19-5-6-45(62)55-44-27-58(3)46(56-44)47(63)54-36-14-9-31(10-15-36)34-22-40(57(2)26-34)49(65)59-18-17-32-21-33(51(67)68)11-16-38(32)59/h7-18,21-24,26-27,41,50,66H,1,5-6,19-20,25,28,53H2,2-4H3,(H,54,63)(H,55,62)(H,67,68)/t41-,50-/m0/s1
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| InChIKey |
ZWFICTZMCLUJSO-SWKRKFTISA-N
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| Pharmaceutical Properties | Molecule Weight |
976.016 |
Polar area |
254.81 |
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Complexity |
3291.619882 |
xlogp Value |
6.6537 |
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Heavy Count |
72 |
Rot Bonds |
14 |
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Hbond acc |
15 |
Hbond Donor |
5 |
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Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
WO2019126691A1 Conjugate No.71 [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) |
0.03 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Calu3 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Lung adenocarcinoma | Calu3 cells | CVCL_0609 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
10.74 nM
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Moderate HER2 expression (HER2++) | ||
| Method Description |
JIMT1 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Breast ductal carcinoma | JIMT1 cells | CVCL_2077 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
300 nM
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Low HER2 expression (HER2+) | ||
| Method Description |
MCF-7 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||
WO2019126691A1 Conjugate No.79 [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) |
0.04 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Calu3 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Lung adenocarcinoma | Calu3 cells | CVCL_0609 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
300 nM
|
Moderate HER2 expression (HER2++) | ||
| Method Description |
JIMT1 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Breast ductal carcinoma | JIMT1 cells | CVCL_2077 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
300 nM
|
Low HER2 expression (HER2+) | ||
| Method Description |
MCF-7 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||