Linker Information

General Information of This Linker
Linker ID
LIN0ILQVI
Linker Name
AU2023281032A1 ADC-3 Linker
Linker Type
Cathepsin-cleavable linker
Antibody-Linker Relation
Cleavable
Structure
Formula
C113H184N20O51
Isosmiles
C[C@H](NC(CCOCCOCCOCCOCCNC([C@H](CC(NCCOCCC(NCC(NCC(N[C@@H](CC1=CC=CC=C1)C(NCC(O)=O)=O)=O)=O)=O)=O)NC([C@H](CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)NC(CNC(CNC(CNC([C@@H]2[C@H]([C@@H]([C@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](N=C3C)[C@@H](O3)O4)[C@H]4CO)O2)O)O)=O)=O)=O)=O)=O)=O)=O)C(N)=O.O=CNCCOCCC(NCC(NCC(N[C@@H](CC5=CC=CC=C5)C(NCC(O)=O)=O)=O)=O)=O
InChI
InChI=1S/C92H155N15O43.C21H29N5O8/c1-62(86(93)124)103-71(111)14-20-132-26-29-136-33-35-137-30-27-133-22-17-96-87(125)67(54-72(112)95-16-21-130-18-13-70(110)97-55-73(113)100-59-77(117)106-66(88(126)102-60-78(118)119)53-64-9-5-4-6-10-64)107-89(127)65(105-76(116)58-99-74(114)56-98-75(115)57-101-90(128)85-82(122)81(121)83(123)92(150-85)149-84-68(61-108)148-91-79(80(84)120)104-63(2)147-91)11-7-8-15-94-69(109)12-19-131-25-28-135-34-36-139-39-40-141-43-44-143-47-48-145-51-52-146-50-49-144-46-45-142-42-41-140-38-37-138-32-31-134-24-23-129-3;27-14-22-7-9-34-8-6-17(28)23-11-18(29)24-12-19(30)26-16(21(33)25-13-20(31)32)10-15-4-2-1-3-5-15/h4-6,9-10,62,65-68,79-85,91-92,108,120-123H,7-8,11-61H2,1-3H3,(H2,93,124)(H,94,109)(H,95,112)(H,96,125)(H,97,110)(H,98,115)(H,99,114)(H,100,113)(H,101,128)(H,102,126)(H,103,111)(H,105,116)(H,106,117)(H,107,127)(H,118,119);1-5,14,16H,6-13H2,(H,22,27)(H,23,28)(H,24,29)(H,25,33)(H,26,30)(H,31,32)/t62-,65-,66-,67-,68+,79+,80+,81-,82-,83-,84+,85-,91-,92+;16-/m00/s1
InChIKey
WTQNOCVSMBEUOF-JCGFVMNLSA-N
Pharmaceutical Properties
Molecule Weight
2638.804
Polar area
967.29
Complexity
.
xlogp Value
-14.1489
Heavy Count
184
Rot Bonds
110
Hbond acc
50
Hbond Donor
26
Each Antibody-drug Conjugate Related to This Linker
Full Information of The Activity Data of The ADC(s) Related to This Linker
AU2023281032A1 ADC-2 [Investigative]
 ADC Info 
Revealed Based on the Cell Line Data
Click To Hide/Show 5 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data maximum killing percentage
39 nM
Negative TROP2 expression ( TROP2-)
Method Description
the maximum killing percentage relative to the control group in MDA-MB-468
In Vitro Model Breast adenocarcinoma MDA-MB-468 cells CVCL_0419
Experiment 2 Reporting the Activity Date of This ADC [1]
Efficacy Data maximum killing percentage
59.29 nM
Positive TROP2 expression (TROP2 +++/++)
Method Description
the maximum killing percentage relative to the control group in HCC1954
In Vitro Model Breast ductal carcinoma HCC1954 cells CVCL_1259
Experiment 3 Reporting the Activity Date of This ADC [1]
Efficacy Data maximum killing percentage
65.17 nM
Positive TROP2 expression (TROP2 +++/++)
Method Description
the maximum killing percentage relative to the control group in SK-BR-3
In Vitro Model Breast adenocarcinoma SK-BR-3 cells CVCL_0033
Experiment 4 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
0.1076 nM
Positive TROP2 expression (TROP2 +++/++)
Method Description
Proliferation Inhibition Action of Different Drugs on Tumor Cells (IC50, nM) in SK-BR-3
In Vitro Model Breast adenocarcinoma SK-BR-3 cells CVCL_0033
Experiment 5 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
0.4355 nM
Positive TROP2 expression (TROP2 +++/++)
Method Description
Proliferation Inhibition Action of Different Drugs on Tumor Cells (IC50, nM) in HCC1954
In Vitro Model Breast ductal carcinoma HCC1954 cells CVCL_1259
AU2023281032A1 ADC-3 [Investigative]
 ADC Info 
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal inhibitory Concentration (lC50)
0.1928 nM
Method Description
Proliferation Inhibition Action of Different Drugs on Tumor Cells (IC50, nM)in BxPC-3.
In Vitro Model Pancreatic ductal adenocarcinoma BxPC-3 cells CVCL_0186
References
Ref 1 Oligosaccharide linker, linker-payload comprising the same and glycan chain-remodeled antibody-drug conjugate, preparation methods and uses thereof