Compound Detail
CHEMBL5436744
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Cc1cnc(Nc2ccc(OCCCC(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5436744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPPWCZSDZBDSNN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
4.01
ALogP
9
HBA
5
HBD
154.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 12.26 | nM | 7.91 | Inhibition of JAK2 (unknown origin) incubated for 30 mins in presence of ATP by ... | 37057760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37057760 | 10.1021/acs.jmedchem.3c00036 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine