Payload Information
General Information of This Payload
| Payload ID | PAY0QLYHE |
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|---|---|---|---|---|---|---|
| Name | CL202203715A1 P51 |
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| Synonyms |
CL202203715A1 P51
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| Structure |
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| Formula | C43H63N5O8S |
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| Isosmiles | CC(C)(C[C@@H](NC(C1=CSC([C@@H](C[C@@H](N(OCCCC#C)C([C@@H](NC([C@@H]2N(CCCC2)C)=O)[C@H](CC)C)=O)C(C)C)OC(C)=O)=N1)=O)CC3=CC=CC=C3)C(O)=O |
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| InChI |
InChI=1S/C43H63N5O8S/c1-10-12-18-23-55-48(41(52)37(29(5)11-2)46-39(51)34-21-16-17-22-47(34)9)35(28(3)4)25-36(56-30(6)49)40-45-33(27-57-40)38(50)44-32(26-43(7,8)42(53)54)24-31-19-14-13-15-20-31/h1,13-15,19-20,27-29,32,34-37H,11-12,16-18,21-26H2,2-9H3,(H,44,50)(H,46,51)(H,53,54)/t29-,32-,34+,35+,36+,37-/m0/s1
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| InChIKey |
JEAHZCBVRNFKTP-DWBNFNIVSA-N
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| Pharmaceutical Properties | Molecule Weight |
810.071 |
Polar area |
167.47 |
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Complexity |
1610.863685 |
xlogp Value |
6.1928 |
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Heavy Count |
57 |
Rot Bonds |
22 |
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Hbond acc |
10 |
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
TRSQ-ZP3A-LP9 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.22 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
The anti-proliferation test was carried out with SK-BR-3 human breast cancer cell line. Cells were grown in McCoy's 5a medium supplemented with 15% FBS,penicillin/streptomycin and L-glutamine.
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||