Compound Detail
CHEMBL1800141
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Basic Information
| ChEMBL ID | CHEMBL1800141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKEZSRKQXRFEHX-ZROIWOOFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
4.58
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] CHEMBL1293255 | IC50 | 7.33 | 7.32 | 47.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 47.0 | nM | 7.33 | Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrat... | 21650226 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 48.9 | nM | 7.31 | Inhibition Assay: Experimental was performed by measuring the formation of NADH ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21650226 | 10.1021/jm200390u | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1 |
Data from ChEMBL 36 via Core Engine