Payload Information
General Information of This Payload
| Payload ID | PAY0FOUOJ |
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| Name | Conjugate No.5 Payload |
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| Synonyms |
Conjugate No.5 Payload
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| Formula | C46H56N10O9 |
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| Isosmiles | C=C(CN12)C[C@@]1([H])C=NC3=CC(OCCCC(NC4=CN(C)C(C(NC5=CC=C(C6=CN(C)C(C(NCCCOC([C@H](C(C)C)NC(CCN)=O)=O)=O)=C6)C=C5)=O)=N4)=O)=C(OC)C=C3C2=O |
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| InChI |
InChI=1S/C46H56N10O9/c1-27(2)41(53-40(58)14-15-47)46(62)65-18-8-16-48-43(59)35-20-30(25-54(35)4)29-10-12-31(13-11-29)50-44(60)42-52-38(26-55(42)5)51-39(57)9-7-17-64-37-22-34-33(21-36(37)63-6)45(61)56-24-28(3)19-32(56)23-49-34/h10-13,20-23,25-27,32,41H,3,7-9,14-19,24,47H2,1-2,4-6H3,(H,48,59)(H,50,60)(H,51,57)(H,53,58)/t32-,41-/m0/s1
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| InChIKey |
MIQVMQAOIASPFO-KMAYNHJMSA-N
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| Pharmaceutical Properties | Molecule Weight |
893.015 |
Polar area |
242.6 |
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Complexity |
2449.397348 |
xlogp Value |
4.1235 |
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Heavy Count |
65 |
Rot Bonds |
20 |
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Hbond acc |
14 |
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.5 [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) |
34 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 | ||