Compound Detail
CHEMBL4784942
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N#CC[C@H](C1CCCC1)n1cc(-c2nc(Nc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc3[nH]ccc23)cn1
Basic Information
| ChEMBL ID | CHEMBL4784942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQGBEJYACWJVPD-XGDNGBMYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
767.9
MW (Da)
5.23
ALogP
12
HBA
5
HBD
219.9
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase JAK2 CHEMBL4742263 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase JAK2 | EC50 | = | 3.9 | nM | 8.41 | PROTAC activity at CRBN/JAK2 in human MHHCALL4 cells assessed as protein degrada... | 34141075 |
| Unchecked | EC50 | = | 3.9 | nM | 8.41 | Protac activity at E3 ubiquitin ligase/JAK2 in human MHH-CALL-4 cells assessed a... | 36518705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34141075 | 10.1021/acsmedchemlett.1c00245 | Protein cereblon/Tyrosine-protein kinase JAK2 | 1 |
| 36518705 | 10.1021/acsmedchemlett.2c00457 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine