Payload Information
General Information of This Payload
| Payload ID | PAY0SNPXD |
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|---|---|---|---|---|---|---|
| Name | SG3312 |
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| Synonyms |
SG3312
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| Target(s) | Human Deoxyribonucleic acid (hDNA) | |||||
| Structure |
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| Formula | C46H47N7O6 |
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| Isosmiles | COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1C=C(c4ccc(N5CCN(C)CC5)cc4)CC1C=N3)N=CC1CC(c3ccc(N)cc3)=CN1C2=O |
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| InChI |
InChI=1S/C46H47N7O6/c1-50-13-15-51(16-14-50)34-11-7-30(8-12-34)32-20-36-26-49-40-24-44(42(57-3)22-38(40)46(55)53(36)28-32)59-18-4-17-58-43-23-39-37(21-41(43)56-2)45(54)52-27-31(19-35(52)25-48-39)29-5-9-33(47)10-6-29/h5-12,21-28,35-36H,4,13-20,47H2,1-3H3
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| InChIKey |
DUINNYBEAWAIMI-UHFFFAOYSA-N
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| Pharmaceutical Properties | Molecule Weight |
793.925 |
Polar area |
134.76 |
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Complexity |
59 |
xlogp Value |
6.8287 |
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Heavy Count |
59 |
Rot Bonds |
11 |
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Hbond acc |
11 |
Hbond Donor |
1 |
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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) | 70 | pM |
SK-OV-3 cells
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Ovarian serous cystadenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 789 | pM |
SK-BR-3 cells
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Breast adenocarcinoma
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 8.6 | pM |
NCI-N87 cells
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Gastric tubular adenocarcinoma
|
[1] |
Each Antibody-drug Conjugate Related to This Payload
References
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