Compound Detail
CHEMBL46723
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Basic Information
| ChEMBL ID | CHEMBL46723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEOHATPGKDSULR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
3.03
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 70.0 | nM | 7.16 | Antioxidant activity against tert-butyl hydroperoxide-induced ROS evoked cell de... | 18605718 |
| Unchecked | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of theophylline-induced melanogenesis in mouse B16-4A5 cells after 72... | 23376010 |
| Inosine-5'-monophosphate dehydrogenase (IMPDH) | IC50 | = | 54000.0 | nM | 4.27 | Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase | 12729643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35295086 | 10.1021/acsmedchemlett.1c00680 | Staphylococcus aureus | 9 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | Tyrosinase | 5 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | Unchecked | 5 |
| 23376010 | 10.1016/j.bmc.2013.01.012 | ADMET | 4 |
| 12729643 | 10.1016/s0960-894x(03)00237-3 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
| 18605718 | 10.1021/jm800577j | Unchecked | 1 |
| 18605718 | 10.1021/jm800577j | SH-SY5Y | 1 |
| 20055453 | 10.1021/jm9014718 | Indoleamine 2,3-dioxygenase 1 | 1 |
| - | 10.1039/C3MD00397C | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine