Compound Detail
CHEMBL4114816
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Basic Information
| ChEMBL ID | CHEMBL4114816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKZZXHNHZGUMJF-WJDWOHSUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
5.23
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] CHEMBL1293255 | IC50 | 7.3 | 7.3 | 50.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 50.6 | nM | 7.3 | Inhibition Assay: Experimental was performed by measuring the formation of NADH ... | - |
Data from ChEMBL 36 via Core Engine