Payload Information
General Information of This Payload
| Payload ID | PAY0FAGJB |
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|---|---|---|---|---|---|---|
| Name | Glucuronide-dPBD |
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| Synonyms |
Glucuronide-dPBD
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| Target(s) | Human Deoxyribonucleic acid (hDNA) | |||||
| Structure |
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| Formula | C51H61N5O19 |
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| Isosmiles | C=C1CC2C(O)Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)CC4C(O)N5C(=O)OCc4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)c(C(=O)NCCOC)c4)c(OC)cc3C(=O)N2C1 |
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| InChI |
InChI=1S/C51H61N5O19/c1-25-15-33-45(61)53-31-20-38(36(69-4)18-28(31)46(62)54(33)22-25)71-12-7-6-8-13-72-39-21-32-29(19-37(39)70-5)47(63)55-23-26(2)16-34(55)48(64)56(32)51(67)73-24-27-9-10-35(30(17-27)44(60)52-11-14-68-3)74-50-42(59)40(57)41(58)43(75-50)49(65)66/h9-10,17-21,33-34,40-43,45,48,50,53,57-59,61,64H,1-2,6-8,11-16,22-24H2,3-5H3,(H,52,60)(H,65,66)
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| InChIKey |
OUXGYUFKVWKDMM-UHFFFAOYSA-N
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| Pharmaceutical Properties | Molecule Weight |
1048.065 |
Polar area |
314.35 |
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Complexity |
75 |
xlogp Value |
1.7396 |
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Heavy Count |
75 |
Rot Bonds |
19 |
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Hbond acc |
19 |
Hbond Donor |
8 |
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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) | 0.003±0.001 | nmol/L |
HEL 92.1.7 cells
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Erythroleukemia
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 0.005±0.001 | nmol/L |
HL-60 cells
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Adult acute myeloid leukemia
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 0.006±0.002 | nmol/L |
TF-1 cells
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Esophageal squamous cell carcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | >1000 | nM |
MKN45 cells
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Gastric adenocarcinoma
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[2] | |
| Half Maximal Inhibitory Concentration (IC50) | >1000 | nM |
EBC-1 cells
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Lung squamous cell carcinoma
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[2] |
Each Antibody-drug Conjugate Related to This Payload
References
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