Payload Information
General Information of This Payload
| Payload ID | PAY0NIKFZ |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.135 Payload |
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| Synonyms |
Conjugate No.135 Payload
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| Structure |
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| Formula | C46H50N9O11P |
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| Isosmiles | COCCOP(NC1=CC=C2C(C=CN2C(C3=CC(C4=CC=C(NC(C5=NC(NC(CCCOC6=C(OC)C=C(C7=O)C(N[C@@H](O)[C@]8([H])CC(CN87)=C)=C6)=O)=CN5C)=O)C=C4)=CN3C)=O)=C1)(O)=O |
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| InChI |
InChI=1S/C46H50N9O11P/c1-27-19-36-43(57)48-34-23-39(38(64-5)22-33(34)45(59)55(36)24-27)65-16-6-7-41(56)49-40-26-53(3)42(50-40)44(58)47-31-10-8-28(9-11-31)30-21-37(52(2)25-30)46(60)54-15-14-29-20-32(12-13-35(29)54)51-67(61,62)66-18-17-63-4/h8-15,20-23,25-26,36,43,48,57H,1,6-7,16-19,24H2,2-5H3,(H,47,58)(H,49,56)(H2,51,61,62)/t36-,43-/m0/s1
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| InChIKey |
YQJRYRUJMAJEEJ-BIMBCEMMSA-N
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| Pharmaceutical Properties | Molecule Weight |
935.932 |
Polar area |
241.77 |
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Complexity |
2910.030082 |
xlogp Value |
5.8173 |
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Heavy Count |
67 |
Rot Bonds |
17 |
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Hbond acc |
15 |
Hbond Donor |
6 |
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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.135 [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) |
0.02 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
OVCAR3 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 | High grade ovarian serous adenocarcinoma | OVCAR3 cells | CVCL_0465 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) | > 100 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 | ||