Payload Information
General Information of This Payload
| Payload ID | PAY0XGQDQ |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.112 Payload |
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| Synonyms |
Conjugate No.112 Payload
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| Structure |
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| Formula | C51H57N12O12S- |
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| Isosmiles | C=C(CN12)C[C@@]1([H])C(S(=O)([O-])=O)NC3=CC(OCCCC(NC4CN(C)C(C(NC5=CC=C(C6=CN(C)C(C(N7C=CC8=CC(NC(CNC([C@H](C)NC(CCN)=O)=O)=O)=CC=C87)=O)=C6)C=C5)=O)=N4)=O)=C(OC)C=C3C2=O |
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| InChI |
InChI=1S/C51H58N12O12S/c1-28-19-38-49(76(71,72)73)57-36-23-41(40(74-5)22-35(36)50(69)63(38)25-28)75-18-6-7-43(64)58-42-27-61(4)46(59-42)48(68)56-33-10-8-30(9-11-33)32-21-39(60(3)26-32)51(70)62-17-15-31-20-34(12-13-37(31)62)55-45(66)24-53-47(67)29(2)54-44(65)14-16-52/h8-13,15,17,20-23,26,29,38,42,49,57H,1,6-7,14,16,18-19,24-25,27,52H2,2-5H3,(H,53,67)(H,54,65)(H,55,66)(H,56,68)(H,58,64)(H,71,72,73)/p-1/t29-,38-,42?,49?/m0/s1
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| InChIKey |
ACWPFYPJDGBDKS-YDCMQAAESA-M
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| Pharmaceutical Properties | Molecule Weight |
1062.156 |
Polar area |
322.05 |
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Complexity |
3251.68471 |
xlogp Value |
1.9035 |
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Heavy Count |
76 |
Rot Bonds |
19 |
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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.112 [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) |
0.13 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) |
0.68 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 | ||
WO2019126691A1 Conjugate No.115 [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) |
0.03 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) |
0.18 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) |
0.89 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 | ||