Compound Detail
CHEMBL4582299
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Basic Information
| ChEMBL ID | CHEMBL4582299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGMOMAYVLQZHSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
3.38
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyrroline-5-carboxylate reductase 1, mitochondrial CHEMBL4296002 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyrroline-5-carboxylate reductase 1, mitochondrial | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of 6x-His-tagged and SUMO tagged human PYCR1 expressed in Escherichia... | 31362921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31362921 | 10.1016/j.bmcl.2019.07.047 | Pyrroline-5-carboxylate reductase 1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine