Payload Information
General Information of This Payload
| Payload ID | PAY0TMFSO |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.136 Payload |
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| Synonyms |
Conjugate No.136 Payload
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| Structure |
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| Formula | C44H42N8O9 |
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| Isosmiles | C=C(CN1C(C2=CC(OC)=C(OCCCC(NC3=CN(C)C(C(NC4=CC=C(C5=CN(C)C(C(N6C=CC7=CC(C(O)=O)=CC=C76)=O)=C5)C=C4)=O)=N3)=O)C=C2N8)=O)C[C@@]1([H])[C@@H]8O |
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| InChI |
InChI=1S/C44H42N8O9/c1-24-16-33-40(54)46-31-20-36(35(60-4)19-30(31)42(56)52(33)21-24)61-15-5-6-38(53)47-37-23-50(3)39(48-37)41(55)45-29-10-7-25(8-11-29)28-18-34(49(2)22-28)43(57)51-14-13-26-17-27(44(58)59)9-12-32(26)51/h7-14,17-20,22-23,33,40,46,54H,1,5-6,15-16,21H2,2-4H3,(H,45,55)(H,47,53)(H,58,59)/t33-,40-/m0/s1
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| InChIKey |
AKSMKCHGMZTFPW-QQLMSYFVSA-N
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| Pharmaceutical Properties | Molecule Weight |
826.867 |
Polar area |
211.28 |
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Complexity |
2749.098654 |
xlogp Value |
5.3402 |
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Heavy Count |
61 |
Rot Bonds |
12 |
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Hbond acc |
13 |
Hbond Donor |
5 |
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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.136 [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) |
0.16 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
OVCAR3 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 | High grade ovarian serous adenocarcinoma | OVCAR3 cells | CVCL_0465 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) | > 100 nM | 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 | ||