Payload Information
General Information of This Payload
| Payload ID | PAY0AJDUH |
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|---|---|---|---|---|---|---|
| Name | D211 |
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| Synonyms |
D211
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| Target(s) | Human Deoxyribonucleic acid (hDNA) | |||||
| Structure |
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| Formula | C39H36N4O6 |
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| Isosmiles | COC1=C(C=C2C(=C1)C(=O)N3CC4=CC=CC=C4C[C@@H]3C=N2)OCCCOC5=C(C=C6C(=C5)N=C[C@H]7CC8=CC=CC=C8CN7C6=O)OC |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C39H36N4O6/c1-46-34-16-30-32(40-20-28-14-24-8-3-5-10-26(24)22-42(28)38(30)44)18-36(34)48-12-7-13-49-37-19-33-31(17-35(37)47-2)39(45)43-23-27-11-6-4-9-25(27)15-29(43)21-41-33/h3-6,8-11,16-21,28-29H,7,12-15,22-23H2,1-2H3/t28-,29-/m1/s1
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| InChIKey |
ULIORDBSGQEFLN-FQLXRVMXSA-N
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| IUPAC Name |
(6aR)-3-[3-[[(6aR)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-14-one
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| Pharmaceutical Properties | Molecule Weight |
656.7 |
Polar area |
102 |
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Complexity |
1150 |
xlogp Value |
4.4 |
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Heavy Count |
49 |
Rot Bonds |
8 |
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Hbond acc |
8 |
Hbond Donor |
0 |
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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) | 1184 | ng/mL |
NOMO-1 cells
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Acute monocytic leukemia
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 230 | ng/mL |
OCI-AML-2 cells
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Adult acute myeloid leukemia
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 2979 | ng/mL |
OCI-M1 cells
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Acute myeloid leukemia
|
[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 517 | ng/mL |
OCI-AML-5 cells
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Acute myeloid leukemia
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[1] | |
| Half Maximal Inhibitory Concentration (IC50) | 615 | ng/mL |
HL-60 cells
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Adult acute myeloid leukemia
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[1] |
Each Antibody-drug Conjugate Related to This Payload
References
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