Compound Detail
CHEMBL4282877
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Basic Information
| ChEMBL ID | CHEMBL4282877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKKLKPICUNUVME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.35
ALogP
7
HBA
2
HBD
102.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.62 | 6.62 | 239.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 239.0 | nM | 6.62 | Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for ... | 30243158 |
| Histone deacetylase 6 | IC50 | = | 3150.0 | nM | 5.5 | Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate prei... | 30243158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30243158 | 10.1016/j.ejmech.2018.09.024 | Tyrosine-protein kinase JAK2 | 1 |
| 30243158 | 10.1016/j.ejmech.2018.09.024 | Histone deacetylase 1 | 1 |
| 30243158 | 10.1016/j.ejmech.2018.09.024 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine