Payload Information
General Information of This Payload
| Payload ID | PAY0SESXS |
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|---|---|---|---|---|---|---|
| Name | Payload 9411 |
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| Synonyms |
9411
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| Structure |
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| Formula | C42H67N7O6S |
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| Isosmiles | C[C@H]([C@H](N(C)C([C@@H](NC([C@]1(C)CCCN1C)=O)C(C)C)=O)[C@H](OC)CC(N2CCC[C@H]2[C@H](OC)[C@H](C(N[C@H](C3=NC=CS3)CC4=CC=C(N)C=C4)=O)C)=O)CC |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C42H67N7O6S/c1-11-27(4)36(48(8)40(52)35(26(2)3)46-41(53)42(6)19-13-21-47(42)7)33(54-9)25-34(50)49-22-12-14-32(49)37(55-10)28(5)38(51)45-31(39-44-20-23-56-39)24-29-15-17-30(43)18-16-29/h15-18,20,23,26-28,31-33,35-37H,11-14,19,21-22,24-25,43H2,1-10H3,(H,45,51)(H,46,53)/t27-,28+,31-,32-,33+,35-,36-,37+,42-/m0/s1
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| InChIKey |
VDBDNAAFVIBCNO-SUEJEGAVSA-N
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| Pharmaceutical Properties | Molecule Weight |
798.108 |
Polar area |
159.43 |
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Complexity |
1528.453996 |
xlogp Value |
4.6707 |
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Heavy Count |
56 |
Rot Bonds |
19 |
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Hbond acc |
10 |
Hbond Donor |
3 |
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The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half maximal Inhibitory Concentration (IC50) | 0.197 | nM |
HT29 cells
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Colon cancer
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.197 | nM |
HT29 cells
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Colon cancer
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.519 | nM |
WI38-VA13 cells
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Normal
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[1] | |
| Half maximal Inhibitory Concentration (IC50) | 0.519 | nM |
WI38-VA13 cells
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Normal
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[1] |
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
EDB-L19-vc-9411 [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) |
46 ng/mL
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Positive EDB expression (EDB+++/++) | ||
| Method Description |
Calculated using four-parameter logistic model #203 with XLfit v4.5 (IDBS)
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| In Vitro Model | Normal | WI38-VA13 cells | CVCL_2759 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
1153 ng/mL
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Negative EDB expression (EDB-) | ||
| Method Description |
Calculated using four-parameter logistic model #203 with XLfit v4.6 (IDBS)
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| In Vitro Model | Colon cancer | HT29 cells | CVCL_A8EZ | ||