Compound Detail
CHEMBL5890455
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COC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cn(C)nc4OC)ncc3C)c[nH]c12)N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5890455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAPILVQOCNIXPK-JOCHJYFZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
2.62
ALogP
10
HBA
3
HBD
125.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.1 | 6.1 | 790.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 790.0 | nM | 6.1 | JAK Enzymatic Assay: Enzyme inhibition studies were performed using recombinant ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 790.0 | nM | 6.1 | Enzyme Inhibition Studies: Enzyme inhibition studies were performed using recomb... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 790.0 | nM | 6.1 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 790.0 | nM | 6.1 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
Data from ChEMBL 36 via Core Engine