Compound Detail
CHEMBL1163788
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Basic Information
| ChEMBL ID | CHEMBL1163788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMFPEICQTJDKBP-KRXBUXKQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.66
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 5.14 | 5.14 | 7210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of alpha-MSH-stimulated melanogenesis in mouse B16 cells assessed as ... | 28619537 |
| No relevant target | EC50 | = | 7210.0 | nM | 5.14 | Antioxidant activity assessed as DPPH free radical scavenging activity measured ... | 27865704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28619537 | 10.1016/j.bmcl.2017.06.011 | B16 | 3 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Bacillus subtilis | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Pseudomonas fluorescens | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Staphylococcus aureus | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Candida albicans | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Escherichia coli | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Aspergillus niger | 1 |
| 20181415 | 10.1016/j.ejmech.2010.01.066 | Trichophyton rubrum | 1 |
| 27865704 | 10.1016/j.bmcl.2016.10.089 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine