Compound Detail
CHEMBL502315
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Basic Information
| ChEMBL ID | CHEMBL502315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYJKXHHUESVOBM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
3.40
ALogP
4
HBA
0
HBD
69.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.42 | 4.81 | 3840.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 3840.0 | nM | 5.42 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 63600.0 | nM | 4.2 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Bacillus subtilis | 3 |
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Klebsiella pneumoniae | 2 |
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Escherichia coli | 2 |
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Staphylococcus aureus | 2 |
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Candida albicans | 2 |
| 18524419 | 10.1016/j.ejmech.2008.04.001 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine