Payload Information
General Information of This Payload
| Payload ID | PAY0ASRMU |
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|---|---|---|---|---|---|---|
| Name | RIPK2 PROTAC |
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| Synonyms |
RIPK2 PROTAC
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| Target | Receptor-interacting serine/threonine-protein kinase 2 (RIPK2) | |||||
| Formula | C52H65N7O11S3 |
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| Isosmiles | CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@@H](NC(COCCOCCOCCOCCOC4=C(S(=O)(C(C)(C)C)=O)C=C(C(NC5=CC=C6C(N=CS6)=C5)=CC=N7)C7=C4)=O)C(C)(C)C)=O)=O)C=C2 |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C52H65N7O11S3/c1-33-47(72-31-55-33)35-10-8-34(9-11-35)28-54-49(62)42-25-37(60)29-59(42)50(63)48(51(2,3)4)58-46(61)30-69-21-20-67-17-16-66-18-19-68-22-23-70-43-27-40-38(26-45(43)73(64,65)52(5,6)7)39(14-15-53-40)57-36-12-13-44-41(24-36)56-32-71-44/h8-15,24,26-27,31-32,37,42,48,60H,16-23,25,28-30H2,1-7H3,(H,53,57)(H,54,62)(H,58,61)/t37-,42+,48-/m1/s1
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| InChIKey |
RIEGJNXDHULIKM-GPPJZCFZSA-N
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| Pharmaceutical Properties | Molecule Weight |
1060.331 |
Polar area |
229.73 |
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Complexity |
2858.942306 |
xlogp Value |
6.84652 |
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Heavy Count |
73 |
Rot Bonds |
24 |
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Hbond acc |
17 |
Hbond Donor |
4 |
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The activity data of This Payload
| Standard Type | Value | Units | Cell line | Disease Model | Cell line ID | Reference |
|---|---|---|---|---|---|---|
| Maximum Effect (Emax) | >95 | % |
THP-1 cells
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Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
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| Maximum Effect (Emax) | 95 | % |
THP-1 cells
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Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
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| Maximum Effect (Emax) | >95 | % | Undisclosed | Undisclosed | Undisclosed | |
| Maximum Effect (Emax) | >95 | % | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Degradation Concentration (DC50) | 1 | nM | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Degradation Concentration (DC50) | 1.4 | nM |
THP-1 cells
|
Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
|
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| Half Maximal Degradation Concentration (DC50) | 1.4 | nM |
THP-1 cells
|
Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
|
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| Half Maximal Degradation Concentration (DC50) | 1.4 | nM | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Degradation Concentration (DC50) | 1.4 | nM | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Degradation Concentration (DC50) | 1.5 | nM |
THP-1 cells
|
Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
|
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| Half Maximal Inhibitory Concentration (IC50) | 100 | nM | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Inhibitory Concentration (IC50) | 100 | nM | Undisclosed | Undisclosed | Undisclosed | |
| Half Maximal Inhibitory Concentration (IC50) | 656 | nM |
THP-1 cells
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Acute monoblastic/monocytic leukemia, Childhood acute monocytic leukemia
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Each Antibody-drug Conjugate Related to This Payload