Payload Information
General Information of This Payload
| Payload ID | PAY0SYBKF |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.31 Payload |
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| Synonyms |
Conjugate No.31 Payload
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| Structure |
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| Formula | C57H68N13O12S- |
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| Isosmiles | C=C(CN12)CC1C(S(=O)([O-])=O)NC3=CC(OCCCC(NC4=CN(C)C(C(NC(C=C5)=CC=C5C6=CN(C)C(C(N7C=CC8=C7C=CC(NC([C@H](CCCCN)NC(C(NC(CCN)=O)C(C)C)=O)=O)=C8)=O)=C6)=O)=N4)=O)=C(OC)C=C3C2=O |
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| InChI |
InChI=1S/C57H69N13O12S/c1-32(2)50(66-49(72)18-21-59)53(74)62-40(10-7-8-20-58)52(73)61-38-16-17-42-35(25-38)19-22-69(42)57(77)44-26-36(30-67(44)4)34-12-14-37(15-13-34)60-54(75)51-65-47(31-68(51)5)64-48(71)11-9-23-82-46-28-41-39(27-45(46)81-6)56(76)70-29-33(3)24-43(70)55(63-41)83(78,79)80/h12-17,19,22,25-28,30-32,40,43,50,55,63H,3,7-11,18,20-21,23-24,29,58-59H2,1-2,4-6H3,(H,60,75)(H,61,73)(H,62,74)(H,64,71)(H,66,72)(H,78,79,80)/p-1/t40-,43?,50?,55?/m0/s1
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| InChIKey |
QKJDJWYNERJGAJ-DMIMEIEESA-M
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| Pharmaceutical Properties | Molecule Weight |
1159.317 |
Polar area |
350.29 |
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Complexity |
3483.088121 |
xlogp Value |
4.2368 |
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Heavy Count |
83 |
Rot Bonds |
24 |
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Hbond acc |
19 |
Hbond Donor |
8 |
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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.31 [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) |
0.26 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) |
1.35 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) |
2.73 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 | ||