Compound Detail
CHEMBL4442920
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Basic Information
| ChEMBL ID | CHEMBL4442920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZHICGIAKKAMAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
238.1
MW (Da)
2.51
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Pyrroline-5-carboxylate reductase 1, mitochondrial CHEMBL4296002 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 300.0 | nM | 6.52 | Inhibition of MAOB (unknown origin) | 31362921 |
| Pyrroline-5-carboxylate reductase 1, mitochondrial | IC50 | = | 8800.0 | nM | 5.06 | 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 | 8 |
| 31362921 | 10.1016/j.bmcl.2019.07.047 | SUM-159-PT | 7 |
| 31362921 | 10.1016/j.bmcl.2019.07.047 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine