Payload Information
General Information of This Payload
| Payload ID | PAY0QGSZM |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.10 Payload |
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| Synonyms |
Conjugate No.10 Payload
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| Structure |
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| Formula | C54H61N12O12S- |
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| Isosmiles | C=C(C1)C[C@@H]([C@@H]2S(=O)([O-])=O)N1C(C3=CC(OC)=C(OCCCC(NC4=CN(C)C(C(NC(C=C5)=CC=C5C6=CN(C)C(C(N(C=C7)C8=C7C=C(NC([C@H](C)NC([C@H](C(C)C)NC(CCN)=O)=O)=O)C=C8)=O)=C6)=O)=N4)=O)C=C3N2)=O |
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| InChI |
InChI=1S/C54H62N12O12S/c1-29(2)47(62-46(68)16-18-55)50(70)56-31(4)49(69)58-36-14-15-39-33(22-36)17-19-65(39)54(73)41-23-34(27-63(41)5)32-10-12-35(13-11-32)57-51(71)48-61-44(28-64(48)6)60-45(67)9-8-20-78-43-25-38-37(24-42(43)77-7)53(72)66-26-30(3)21-40(66)52(59-38)79(74,75)76/h10-15,17,19,22-25,27-29,31,40,47,52,59H,3,8-9,16,18,20-21,26,55H2,1-2,4-7H3,(H,56,70)(H,57,71)(H,58,69)(H,60,67)(H,62,68)(H,74,75,76)/p-1/t31-,40-,47-,52-/m0/s1
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| InChIKey |
CPBPSVCTHXBZEA-BMKUDWLWSA-M
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| Pharmaceutical Properties | Molecule Weight |
1102.221 |
Polar area |
324.27 |
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Complexity |
3408.745211 |
xlogp Value |
4.1277 |
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Heavy Count |
79 |
Rot Bonds |
20 |
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Hbond acc |
18 |
Hbond Donor |
7 |
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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.10 [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) |
0.25 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) |
10.1 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 | ||