Compound Detail
CHEMBL264666
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL264666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXCZAXJFRBPQRP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.34
ALogP
4
HBA
1
HBD
57.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 4.23 | 4.23 | 59000.0 | 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 | = | 17000.0 | nM | 4.77 | Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility sh... | 21134755 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of PKBbeta recombinant by radiometric filter binding assay | 18345609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Staphylococcus aureus | 4 |
| 21134755 | 10.1016/j.bmc.2010.11.004 | Mitogen-activated protein kinase kinase kinase 5 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Escherichia coli | 2 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Pseudomonas aeruginosa | 2 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Candida albicans | 2 |
| 18345609 | 10.1021/jm701437d | RAC-beta serine/threonine-protein kinase | 1 |
| 18345609 | 10.1021/jm701437d | Unchecked | 1 |
| 18345609 | 10.1021/jm701437d | NON-PROTEIN TARGET | 1 |
| 18345609 | 10.1021/jm701437d | Glycogen synthase kinase-3 beta | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Enterococcus faecalis | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Klebsiella pneumoniae | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Acinetobacter baumannii | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Candida tropicalis | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Aspergillus fumigatus | 1 |
| 29598912 | 10.1016/j.bmcl.2018.03.046 | Candida parapsilosis | 1 |
Data from ChEMBL 36 via Core Engine