Compound Detail
CHEMBL27364
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Basic Information
| ChEMBL ID | CHEMBL27364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSOZYBIDCNHWSW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
5.33
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine synthase CHEMBL2150844 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Microsomal triglyceride transfer protein large subunit CHEMBL2934 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine synthase | IC50 | = | 2.2 | nM | 8.66 | Inhibition of MTR (unknown origin) | 36155354 |
| Microsomal triglyceride transfer protein large subunit | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against microsomal triglyceride transfer protein (MTP) | 12657277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657277 | 10.1016/s0960-894x(03)00116-1 | Microsomal triglyceride transfer protein large subunit | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | Methionine synthase | 1 |
| 36155354 | 10.1016/j.ejmech.2022.114742 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine