Payload Information
General Information of This Payload
| Payload ID | PAY0LVFVH |
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|---|---|---|---|---|---|---|
| Name | (4-NH2)-Exatecan |
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| Synonyms |
(4-NH2)-Exatecan
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| Target | DNA topoisomerase I (TOP1) | |||||
| Structure |
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| Formula | C23H21N3O4 |
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| Isosmiles | CC[C@]1(O)C(C=C2C3=NC4=CC=C(N)C(CCC5)=C4C5=C3CN62)=C(COC1=O)C6=O |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C23H21N3O4/c1-2-23(29)15-8-18-20-13(9-26(18)21(27)14(15)10-30-22(23)28)11-4-3-5-12-16(24)6-7-17(25-20)19(11)12/h6-8,29H,2-5,9-10,24H2,1H3/t23-/m0/s1
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| InChIKey |
VMSFUDYSPMXQSY-QHCPKHFHSA-N
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| Pharmaceutical Properties | Molecule Weight |
403.438 |
Polar area |
107.44 |
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Complexity |
1326.871237 |
xlogp Value |
2.1505 |
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Heavy Count |
30 |
Rot Bonds |
1 |
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Hbond acc |
7 |
Hbond Donor |
2 |
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The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Half Maximal Inhibitory Concentration (IC50) | 0.00138 | ug.mL-1 |
QG-56 cells
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Lung squamous cell carcinoma
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| Half Maximal Inhibitory Concentration (IC50) | 0.00297 | ug.mL-1 |
P388 cells
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Lymphoma
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| Half Maximal Inhibitory Concentration (IC50) | 0.03589 | ug.mL-1 |
HOC-21 cells
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Ovarian adenocarcinoma
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Each Antibody-drug Conjugate Related to This Payload