Payload Information
General Information of This Payload
| Payload ID | PAY0NJPOR |
|||||
|---|---|---|---|---|---|---|
| Name | Monomethyl auristatin F derivative peptide (CN29) |
|||||
| Synonyms |
Monomethyl auristatin F (MMAF) derivative peptide (CN29)
Click to Show/Hide
|
|||||
| Target(s) | Microtubule (MT) | |||||
| Structure |
|
|||||
| Formula | C46H81N7O8 |
|||||
| Isosmiles | CCC(C)C(C(CC)CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)NCCOCCOCCN)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C |
|||||
| InChI |
InChI=1S/C46H81N7O8/c1-12-32(7)41(52(10)46(58)40(31(5)6)51-45(57)39(48-9)30(3)4)35(13-2)29-38(54)53-23-17-20-37(53)42(59-11)33(8)43(55)50-36(28-34-18-15-14-16-19-34)44(56)49-22-25-61-27-26-60-24-21-47/h14-16,18-19,30-33,35-37,39-42,48H,12-13,17,20-29,47H2,1-11H3,(H,49,56)(H,50,55)(H,51,57)
|
|||||
| InChIKey |
IIIKCOKJQPVRHC-UHFFFAOYSA-N
|
|||||
| Pharmaceutical Properties | Molecule Weight |
860.195 |
Polar area |
193.66 |
||
Complexity |
61 |
xlogp Value |
3.1383 |
|||
Heavy Count |
61 |
Rot Bonds |
29 |
|||
Hbond acc |
10 |
Hbond Donor |
5 |
|||
The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half Maximal Inhibitory Concentration (IC50) | 130±33 | nM |
KPL-4 cells
|
Breast inflammatory carcinoma
|
[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 330±32 | nM |
SK-BR-3 cells
|
Breast adenocarcinoma
|
[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 600±44 | nM |
MCF-7 cells
|
Invasive breast carcinoma
|
[1] |
Each Antibody-drug Conjugate Related to This Payload
References
If you find any error in data or bug in web service, please kindly report it to Dr. Shen et al.