Payload Information
General Information of This Payload
| Payload ID | PAY0INCUX |
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|---|---|---|---|---|---|---|
| Name | Auri E |
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| Synonyms |
Auri E
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| Formula | C39H67N5O7 |
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| Isosmiles | C[C@@H](NC(C([C@@H](OC)[C@@H]1CCCN1C(CC(OC)C(N(C)C([C@@H](NC([C@@H](N(C)C)CC)=O)C(C)C)=O)C(C)CC)=O)C)=O)[C@@H](O)C2=CC=CC=C2 |
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| InChI |
InChI=1S/C39H67N5O7/c1-13-25(5)34(43(10)39(49)33(24(3)4)41-38(48)29(14-2)42(8)9)31(50-11)23-32(45)44-22-18-21-30(44)36(51-12)26(6)37(47)40-27(7)35(46)28-19-16-15-17-20-28/h15-17,19-20,24-27,29-31,33-36,46H,13-14,18,21-23H2,1-12H3,(H,40,47)(H,41,48)/t25?,26?,27-,29+,30+,31?,33+,34?,35-,36-/m1/s1
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| InChIKey |
MIVBXKLVPYHQQD-HBPCXSCBSA-N
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| Pharmaceutical Properties | Molecule Weight |
717.993 |
Polar area |
140.75 |
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Complexity |
1195.6522 |
xlogp Value |
3.626 |
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Heavy Count |
51 |
Rot Bonds |
20 |
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Hbond acc |
8 |
Hbond Donor |
3 |
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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
37222285 ADC 1 [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) |
0.49 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Next, the dose dependent cytotoxicity of ADC1 was investigated in HER2-positive (BT474 and SK-BR3) and HER2-negative (MCF-7) breast cancer cell lines. The potency of ADC1 was compared to the FDA approved ADC Kadcyla®. ADC1 proved to be highly potent in both BT474 and SK-BR3 cell lines while having negligible toxicity in MCF-7 cells, indicating neglectable extracellular linker cleavage (Fig. 4). We also observed that ADC 1 had a higher potency against BT-474 cells (IC50 = 0.49 nM) compared to Kadcyla (IC50 =1.06 nM) suggesting efficient intracellular linker cleavage and payload release.
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| In Vitro Model | Invasive breast carcinoma | BT-474 cells | CVCL_0179 | ||