Compound Detail
CHEMBL4177177
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Basic Information
| ChEMBL ID | CHEMBL4177177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKYFVKKMMAZZAQ-KAVGSWPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.03
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 19600.0 | nM | 4.71 | Inhibition of IKKbeta (unknown origin) using FAM-P22 as substrate preincubated f... | 29351887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35447343 | 10.1016/j.bmcl.2022.128743 | Staphylococcus aureus | 3 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Escherichia coli | 2 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Salmonella typhimurium | 2 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Enterococcus faecalis | 2 |
| 29351887 | 10.1016/j.ejmech.2017.11.077 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Pseudomonas aeruginosa | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Candida albicans | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Aspergillus fumigatus | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Trichophyton rubrum | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Unchecked | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Molecular identity unknown | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | MDA-MB-231 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | RPMI-7951 | 1 |
Data from ChEMBL 36 via Core Engine