Compound Detail
CHEMBL3674736
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CC(=O)N1CCN(c2cccc3c2c(C(N)=O)cn3-c2ccnc(N[C@H]3CC[C@H](CS(C)(=O)=O)CC3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL3674736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZHVURQKHNNOPK-MXVIHJGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
2.20
ALogP
9
HBA
2
HBD
143.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.86 | 7.86 | 13.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 13.9 | nM | 7.86 | In Vitro Inhibition Assay: JNK activity was measured by phosphorylation of GST-A... | - |
Data from ChEMBL 36 via Core Engine