Compound Detail
CHEMBL426432
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Basic Information
| ChEMBL ID | CHEMBL426432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQNOKJZNMHDSFF-GXDHUFHOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.61
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 5.53 | 5.525 | 2980.0 | 2 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of human recombinant MIF enolase activity using phenylpyruvate as sub... | 36587420 |
| Macrophage migration inhibitory factor | IC50 | = | 2990.0 | nM | 5.52 | Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as su... | 36587420 |
| Cytochrome P450 26A1 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of CYP26A1 in human MCF7 cells assessed as all-trans retinoic acid me... | 16279770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36587420 | 10.1016/j.ejmech.2022.115050 | Macrophage migration inhibitory factor | 2 |
| 15482941 | 10.1016/j.bmcl.2004.08.040 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 1 |
| 16279770 | 10.1021/jm0501681 | Liver microsomes | 1 |
| 16279770 | 10.1021/jm0501681 | Cytochrome P450 26A1 | 1 |
Data from ChEMBL 36 via Core Engine