Payload Information
General Information of This Payload
| Payload ID | PAY0OJIZQ |
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| Name | Compound No.14 |
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| Synonyms |
Compound No.14
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| Structure |
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| Formula | C25H29F2N9O12P2S2 |
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| Isosmiles | CNCCOC(NC1=NC=NC2=C1N=CN2[C@H](O3)[C@H](F)[C@H](O[P@](S)(OC[C@@H](O4)[C@@H](O)[C@@H](O5)[C@@H]4N6C=C(F)C7=C6N=CNC7=O)=O)[C@H]3COP5(S)=O)=O |
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| InChI |
InChI=1S/C25H29F2N9O12P2S2/c1-28-2-3-42-25(39)34-19-15-21(31-7-29-19)36(9-33-15)23-14(27)17-12(46-23)6-44-50(41,52)48-18-16(37)11(5-43-49(40,51)47-17)45-24(18)35-4-10(26)13-20(35)30-8-32-22(13)38/h4,7-9,11-12,14,16-18,23-24,28,37H,2-3,5-6H2,1H3,(H,40,51)(H,41,52)(H,30,32,38)(H,29,31,34,39)/t11-,12-,14-,16-,17-,18-,23-,24-,49-,50?/m1/s1
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| InChIKey |
RFBIDNPPOXZILY-BHMPUPOASA-N
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| Pharmaceutical Properties | Molecule Weight |
811.636 |
Polar area |
254.39 |
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Complexity |
2043.64104 |
xlogp Value |
1.8583 |
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Heavy Count |
52 |
Rot Bonds |
6 |
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Hbond acc |
19 |
Hbond Donor |
6 |
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Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
CN116916962A-ADC-B17 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
1.14 nM
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High hCCR2 expression (hCCR2+++) | ||
| Method Description |
THP 1, 15,000cells/254uL per welld were plated at set in 384 well flat plate, in the appropriate growth media. The cell plates were dosed with 5uL of the hCCR2 targeting-ADC samples and then incubated at 37°C for 20 hours. At the end of the incubation 10uL/well of the QUANTJ-LucTM (InvivoGenftrep-qlc1) were added and luminescence was measured immediately using the LeadSeeker.
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| In Vitro Model | Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia | THP1 cells | CVCL_0006 | ||
CN116916962A-ADC-B2 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
2.63 nM
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High hCCR2 expression (hCCR2+++) | ||
| Method Description |
THP 1, 15,000cells/254uL per welld were plated at set in 384 well flat plate, in the appropriate growth media. The cell plates were dosed with 5uL of the hCCR2 targeting-ADC samples and then incubated at 37°C for 20 hours. At the end of the incubation 10uL/well of the QUANTJ-LucTM (InvivoGenftrep-qlc1) were added and luminescence was measured immediately using the LeadSeeker.
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| In Vitro Model | Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia | THP1 cells | CVCL_0006 | ||