Compound Detail
CHEMBL380919
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Basic Information
| ChEMBL ID | CHEMBL380919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NICJCIQSJJKZAH-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.67
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin reductase 1 CHEMBL4166 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin reductase 1 | IC50 | = | 1420.0 | nM | 5.85 | Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay | 16610802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610802 | 10.1021/jm051104t | Prostaglandin reductase 1 | 2 |
Data from ChEMBL 36 via Core Engine