Payload Information
General Information of This Payload
| Payload ID | PAY0OCOQY |
|||||
|---|---|---|---|---|---|---|
| Name | Conjugate No.60 Payload |
|||||
| Synonyms |
Conjugate No.60 Payload
Click to Show/Hide
|
|||||
| Structure |
|
|||||
| Formula | C52H57N12O12S- |
|||||
| Isosmiles | C=C(CN1C(C2=CC(OC)=C(OCCCC(NC3=CN(C)C(C(NC(C=C4)=CC=C4C5=CN(C)C(C(N(C=C6)C7=C6C=C(NC([C@H](C)NC([C@H](C)NC(CCN)=O)=O)=O)C=C7)=O)=C5)=O)=N3)=O)C=C2N8)=O)CC1C8S(=O)([O-])=O |
|||||
| InChI |
InChI=1S/C52H58N12O12S/c1-28-20-39-50(77(72,73)74)58-37-24-42(41(75-6)23-36(37)51(70)64(39)25-28)76-19-7-8-44(65)59-43-27-62(5)46(60-43)49(69)56-34-11-9-31(10-12-34)33-22-40(61(4)26-33)52(71)63-18-16-32-21-35(13-14-38(32)63)57-48(68)30(3)55-47(67)29(2)54-45(66)15-17-53/h9-14,16,18,21-24,26-27,29-30,39,50,58H,1,7-8,15,17,19-20,25,53H2,2-6H3,(H,54,66)(H,55,67)(H,56,69)(H,57,68)(H,59,65)(H,72,73,74)/p-1/t29-,30-,39?,50?/m0/s1
|
|||||
| InChIKey |
JXQSIWIBAWDLFQ-XIOYAJAYSA-M
|
|||||
| Pharmaceutical Properties | Molecule Weight |
1074.167 |
Polar area |
324.27 |
||
Complexity |
3355.120284 |
xlogp Value |
3.4916 |
|||
Heavy Count |
77 |
Rot Bonds |
19 |
|||
Hbond acc |
18 |
Hbond Donor |
7 |
|||
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.60 [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) |
0.01 nM
|
Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Calu3 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Lung adenocarcinoma | Calu3 cells | CVCL_0609 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.02 nM
|
Low HER2 expression (HER2+) | ||
| Method Description |
MCF-7 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.11 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.
|
||||
| In Vitro Model | Breast ductal carcinoma | JIMT1 cells | CVCL_2077 | ||
WO2019126691A1 Conjugate No.61 [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) |
0.02 nM
|
Positive HER2 expression (HER2+++/++) | ||
| Method Description |
HT29 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Colon cancer | HT29 cells | CVCL_A8EZ | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.21 nM
|
Positive HER2 expression (HER2+++/++) | ||
| Method Description |
DLD1 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Colon adenocarcinoma | DLD1 cells | CVCL_0248 | ||
WO2019126691A1 Conjugate No.62 [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) |
1.37 nM
|
Positive HER2 expression (HER2+++/++) | ||
| Method Description |
HT29 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Colon cancer | HT29 cells | CVCL_A8EZ | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
1.72 nM
|
Positive HER2 expression (HER2+++/++) | ||
| Method Description |
DLD1 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
|
||||
| In Vitro Model | Colon adenocarcinoma | DLD1 cells | CVCL_0248 | ||