Payload Information
General Information of This Payload
| Payload ID | PAY0WUTUF |
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|---|---|---|---|---|---|---|
| Name | Tubulin inhibitor B |
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| Synonyms |
Tubulin inhibitor B
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| Target | Microtubule (MT) | |||||
| Structure |
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| Formula | C39H67N5O7 |
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| Isosmiles | CC([C@@H](NC)C(N[C@@H](C(C)C)C(N(C)[C@@H]([C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)C)=O)[C@H](CC)C)=O)=O)C |
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| InChI |
InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32+,33-,34+,35+,36+/m0/s1
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| InChIKey |
DASWEROEPLKSEI-VYUFXSJQSA-N
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| Pharmaceutical Properties | Molecule Weight |
717.993 |
Polar area |
149.54 |
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Complexity |
1195.6522 |
xlogp Value |
3.5298 |
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Heavy Count |
51 |
Rot Bonds |
20 |
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Hbond acc |
8 |
Hbond Donor |
4 |
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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
cN112638426B ADC1 [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) |
0.04 nM
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| Method Description |
A Cell line test on HCC1954
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| In Vitro Model | Breast ductal carcinoma | HCC1954 cells | CVCL_1259 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.43 nM
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| Method Description |
A Cell line test on NCI-N87
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.63 nM
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| Method Description |
A Cell line test on BT-474
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| In Vitro Model | Invasive breast carcinoma | BT-474 cells | CVCL_0179 | ||
| Experiment 4 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
194.24 nM
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| Method Description |
A Cell line test on MDA-MB-468
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| In Vitro Model | Breast adenocarcinoma | MDA-MB-468 cells | CVCL_0419 | ||
| Experiment 5 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
204.88 nM
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| Method Description |
A Cell line test on MCF-7
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| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||
cN112638426B ADC2 [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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| Method Description |
A Cell line test on HCC1954
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| In Vitro Model | Breast ductal carcinoma | HCC1954 cells | CVCL_1259 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.45 nM
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| Method Description |
A Cell line test on NCI-N87
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.69 nM
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| Method Description |
A Cell line test on BT-474
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| In Vitro Model | Invasive breast carcinoma | BT-474 cells | CVCL_0179 | ||
| Experiment 4 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
52.46 nM
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| Method Description |
A Cell line test on MCF-7
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| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||
| Experiment 5 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
99.84 nM
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| Method Description |
A Cell line test on MDA-MB-468
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| In Vitro Model | Breast adenocarcinoma | MDA-MB-468 cells | CVCL_0419 | ||
References