Linker Information
General Information of This Linker
| Linker ID |
LIN0KXYKG
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| Linker Name |
WO2023232144A1, ADC-2, linker
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| Linker Type |
Beta-glucuronide based linker
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| Antibody-Linker Relation |
Cleavable
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| Structure |
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| Formula |
C117H190N20O53
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| Isosmiles |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(NCCCC[C@H](NC(CNC(CNC(CNC([C@@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](N=C1C)[C@@H](O1)O2)[C@H]2CO)[C@H](O)[C@H]3O)[C@H]3O)=O)=O)=O)=O)C(N[C@H](C(NCCOCCOCCOCCOCCC(N[C@H](C(N)=O)CC(NCCOCCOCCC(NCC(NCC(N[C@@H](CC4=CC=CC=C4)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O)CC(NCCOCCOCCC(NCC(NCC(N[C@@H](CC5=CC=CC=C5)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O
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| InChI |
InChI=1S/C117H190N20O53/c1-79-132-103-104(156)108(87(78-138)188-116(103)187-79)189-117-107(159)105(157)106(158)109(190-117)115(165)129-72-97(148)125-71-96(147)126-73-98(149)133-82(15-9-10-20-119-88(139)16-24-167-35-40-175-46-48-179-51-52-181-55-56-183-59-60-185-63-64-186-62-61-184-58-57-182-54-53-180-50-49-178-44-43-174-32-31-166-2)114(164)137-86(68-93(144)121-22-29-172-38-34-169-26-18-90(141)124-70-95(146)128-75-100(151)136-85(113(163)131-77-102(154)155)66-81-13-7-4-8-14-81)111(161)122-23-30-173-39-42-177-47-45-176-41-36-170-27-19-91(142)134-83(110(118)160)67-92(143)120-21-28-171-37-33-168-25-17-89(140)123-69-94(145)127-74-99(150)135-84(112(162)130-76-101(152)153)65-80-11-5-3-6-12-80/h3-8,11-14,82-87,103-109,116-117,138,156-159H,9-10,15-78H2,1-2H3,(H2,118,160)(H,119,139)(H,120,143)(H,121,144)(H,122,161)(H,123,140)(H,124,141)(H,125,148)(H,126,147)(H,127,145)(H,128,146)(H,129,165)(H,130,162)(H,131,163)(H,133,149)(H,134,142)(H,135,150)(H,136,151)(H,137,164)(H,152,153)(H,154,155)/t82-,83-,84-,85-,86-,87+,103+,104+,105-,106-,107+,108+,109-,116-,117+/m0/s1
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| InChIKey |
PQBLCTJEIRBXLG-JTHKPIDASA-N
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| Pharmaceutical Properties |
Molecule Weight
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2724.894
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Polar area
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985.75
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Complexity
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.
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xlogp Value
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-14.3617
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Heavy Count
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190
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Rot Bonds
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117
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Hbond acc
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52
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Hbond Donor
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26
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Each Antibody-drug Conjugate Related to This Linker
Full Information of The Activity Data of The ADC(s) Related to This Linker
wO2023232144A1ADC-2 [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) |
0.1076 nM
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Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to SK-BR-3 cells
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.4355 nM
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Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC to HCC1954 cells
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| In Vitro Model | Breast ductal carcinoma | HCC1954 cells | CVCL_1259 | ||
wO2023232144A1ADC-3 [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) |
0.1839 nM
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High TROP2 expression (TROP2 +++) | ||
| Method Description |
Cytotoxicity of ADC to FaDu cells
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| In Vitro Model | Hypopharyngeal squamous cell carcinoma | FaDu cells | CVCL_1218 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.1928 nM
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High TROP2 expression (TROP2 +++) | ||
| Method Description |
Cytotoxicity of ADC-2 to BxPC-3 cells
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| In Vitro Model | Pancreatic ductal adenocarcinoma | BxPC-3 cells | CVCL_0186 | ||
wO2023232144A1ADC-6 [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) | ≈ 0.3 nM | Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to SK-BR-3 cells
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) | ≈ 8 nM | Positive ErbB2/HER2 expression (ErbB2/HER2+++/++) | ||
| Method Description |
Cytotoxicity of ADC-2 to NCI-N87 cells
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||
References