Compound Detail
CHEMBL4290518
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Basic Information
| ChEMBL ID | CHEMBL4290518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTYCVFPHELBGDW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
2.94
ALogP
8
HBA
2
HBD
128.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 9.49 | 8.44 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 0.32 | nM | 9.49 | Inhibition of recombinant full length human GST-tagged ASK1 expressed in baculov... | 29348070 |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant full length human ASK1 expressed in HEK293/AP1-Luc cel... | 29348070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29348070 | 10.1016/j.ejmech.2017.12.041 | Mitogen-activated protein kinase kinase kinase 5 | 2 |
| 29348070 | 10.1016/j.ejmech.2017.12.041 | No relevant target | 1 |
| 29348070 | 10.1016/j.ejmech.2017.12.041 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine