Payload Information
General Information of This Payload
| Payload ID | PAY0HRCYR |
|||||
|---|---|---|---|---|---|---|
| Name | Payload 4574 |
|||||
| Synonyms |
4574
Click to Show/Hide
|
|||||
| Structure |
|
|||||
| Formula | C29H54N4O7 |
|||||
| Isosmiles | C[C@H]([C@H](N(C)C([C@@H](NC(C(C)(N(C)C)C)=O)C(C)C)=O)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)CC(O)=O)=O)CC |
|||||
| InChI |
InChI=1S/C29H54N4O7/c1-12-19(4)26(32(9)27(37)25(18(2)3)30-28(38)29(5,6)31(7)8)22(40-11)16-23(34)33-15-13-14-20(33)21(39-10)17-24(35)36/h18-22,25-26H,12-17H2,1-11H3,(H,30,38)(H,35,36)/t19-,20-,21+,22+,25-,26-/m0/s1
|
|||||
| InChIKey |
MNINXXHXSQWYFB-REQDVVOUSA-N
|
|||||
| Pharmaceutical Properties | Molecule Weight |
570.772 |
Polar area |
128.72 |
||
Complexity |
818.976375 |
xlogp Value |
2.2263 |
|||
Heavy Count |
40 |
Rot Bonds |
16 |
|||
Hbond acc |
7 |
Hbond Donor |
2 |
|||
The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half maximal Inhibitory Concentration (IC50) | 3.54 | nM |
WI38-VA13 cells
|
Normal
|
[1] | |
| Half maximal Inhibitory Concentration (IC50) | 3.54 | nM |
WI38-VA13 cells
|
Normal
|
[1] | |
| Half maximal Inhibitory Concentration (IC50) | 3.65 | nM |
HT29 cells
|
Colon cancer
|
[1] | |
| Half maximal Inhibitory Concentration (IC50) | 3.65 | nM |
HT29 cells
|
Colon cancer
|
[1] |
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
EDB-diS-L19-4574 [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) |
429 ng/mL
|
Negative EDB expression (EDB-) | ||
| Method Description |
Calculated using four-parameter logistic model #203 with XLfit v4.8 (IDBS)
|
||||
| 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) |
487 ng/mL
|
Positive EDB expression (EDB+++/++) | ||
| Method Description |
Calculated using four-parameter logistic model #203 with XLfit v4.7 (IDBS)
|
||||
| In Vitro Model | Normal | WI38-VA13 cells | CVCL_2759 | ||