Compound Detail
CHEMBL5876961
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C[C@H](n1cnnc1-c1nc(N(C(=O)c2ccccn2)N2CC3CCCN3C(n3cnc(C4CC4)c3)C2)cs1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5876961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEMKKBMCJKSRPD-OYMFQORVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
4.53
ALogP
11
HBA
0
HBD
101.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 1.8 | nM | 8.74 | Apoptosis Signal-Regulating Kinase Assay: The assay measures the phosphorylation... | - |
Data from ChEMBL 36 via Core Engine