Payload Information
General Information of This Payload
| Payload ID | PAY0BGIBY |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.130 Payload |
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| Synonyms |
Conjugate No.130 Payload
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| Structure |
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| Formula | C51H58N9O12P |
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| Isosmiles | COCCOP(NC1=CC(C=CN2C(C3=CC(C4=CC=C(NC(C5=NC(NC(CCCOC6=C(OC)C=C(C7=O)C(N[C@H](OC8CCCCO8)[C@]9([H])CC(CN97)=C)=C6)=O)=CN5C)=O)C=C4)=CN3C)=O)=C2C=C1)(O)=O |
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| InChI |
InChI=1S/C51H58N9O12P/c1-31-23-40-49(72-46-10-6-7-19-70-46)53-38-27-43(42(68-5)26-37(38)50(63)60(40)28-31)69-20-8-9-45(61)54-44-30-58(3)47(55-44)48(62)52-35-13-11-32(12-14-35)34-25-41(57(2)29-34)51(64)59-18-17-33-24-36(15-16-39(33)59)56-73(65,66)71-22-21-67-4/h11-18,24-27,29-30,40,46,49,53H,1,6-10,19-23,28H2,2-5H3,(H,52,62)(H,54,61)(H2,56,65,66)/t40-,46?,49+/m0/s1
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| InChIKey |
ZNQPWNZZRRQCBA-IPNBKMFDSA-N
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| Pharmaceutical Properties | Molecule Weight |
1020.05 |
Polar area |
240 |
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Complexity |
3068.131953 |
xlogp Value |
7.3682 |
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Heavy Count |
73 |
Rot Bonds |
19 |
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Hbond acc |
16 |
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.130 [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 |
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) |
0.07 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 | ||