Payload Information
General Information of This Payload
| Payload ID | PAY0NGXRW |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.20 Payload |
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| Synonyms |
Conjugate No.20 Payload
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| Structure |
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| Formula | C56H68N12O12 |
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| Isosmiles | O=C(N[C@@H](C(C)C)C(N[C@H](C(NC1=CC=C(COC(N[C@@H](O)C([H])CC(CNC(C2=CC(OC)=C(OCCCC(NC3=CN(C)C(C(NC4=CC=C(C5=NC6=CC(OC)=CC=C6N5)C=C4)=O)=N3)=O)C=C2)=O)=C)=O)C=C1)=O)C)=O)CCN |
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| InChI |
InChI=1S/C56H68N12O12/c1-32(2)49(66-48(71)24-25-57)54(74)59-34(4)52(72)60-38-16-11-35(12-17-38)31-80-56(76)67-47(70)23-10-33(3)29-58-53(73)37-15-22-43(44(27-37)78-7)79-26-8-9-46(69)64-45-30-68(5)51(65-45)55(75)61-39-18-13-36(14-19-39)50-62-41-21-20-40(77-6)28-42(41)63-50/h11-22,27-28,30,32,34,47,49,70H,3,8-10,23-26,29,31,57H2,1-2,4-7H3,(H,58,73)(H,59,74)(H,60,72)(H,61,75)(H,62,63)(H,64,69)(H,66,71)(H,67,76)/t34-,47-,49-/m0/s1
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| InChIKey |
NQYVYNBWKWATGK-UHINJWEOSA-N
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| Pharmaceutical Properties | Molecule Weight |
1101.232 |
Polar area |
333.37 |
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Complexity |
3098.366178 |
xlogp Value |
5.2744 |
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Heavy Count |
80 |
Rot Bonds |
28 |
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Hbond acc |
16 |
Hbond Donor |
10 |
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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.20 [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) |
0.26 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 2 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 | ||