Compound Detail
CHEMBL5571520
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Basic Information
| ChEMBL ID | CHEMBL5571520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJXDBBLLNKXBTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.57
ALogP
6
HBA
2
HBD
95.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7100.0 | nM | 5.15 | Inhibition of N-terminal GST-tagged recombinant human MKK3 S198E/T193E mutant ex... | 38157838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine