Compound Detail
CHEMBL598880
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Basic Information
| ChEMBL ID | CHEMBL598880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFEJSZCZXHPODS-RQZCQDPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.23
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] CHEMBL1293255 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 172.0 | nM | 6.76 | Inhibition of human 15PGDH expressed in Escherichia coli BL-21 by fluorescence s... | 20122835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20122835 | 10.1016/j.bmc.2010.01.016 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1 |
Data from ChEMBL 36 via Core Engine