Compound Detail
CHEMBL127579
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Basic Information
| ChEMBL ID | CHEMBL127579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLGKSXCGHMXELQ-ZRDIBKRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
4.41
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.61 | 4.61 | 24800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes | 1331447 |
| Protein skinhead-1 | IC50 | = | 24800.0 | nM | 4.61 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30904756 | 10.1016/j.ejmech.2019.03.007 | Leishmania donovani | 3 |
| 1331447 | 10.1021/jm00099a011 | Cysteinyl leukotriene receptor 1 | 1 |
| 12617915 | 10.1016/s0960-894x(02)01085-5 | Human T-cell leukemia virus type I | 1 |
| 30904756 | 10.1016/j.ejmech.2019.03.007 | Leishmania pifanoi | 1 |
| 30904756 | 10.1016/j.ejmech.2019.03.007 | J774 | 1 |
Data from ChEMBL 36 via Core Engine