Compound Detail
CHEMBL4439450
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Basic Information
| ChEMBL ID | CHEMBL4439450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLRPIWGULREKNO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.93
ALogP
8
HBA
4
HBD
117.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 37.0 | nM | 7.43 | Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as su... | 30901208 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of recombinant human JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrat... | 30901208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30901208 | 10.1021/acs.jmedchem.8b01597 | Tyrosine-protein kinase JAK2 | 1 |
| 30901208 | 10.1021/acs.jmedchem.8b01597 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine