Compound Detail
CHEMBL4060121
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Basic Information
| ChEMBL ID | CHEMBL4060121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJPYCGSQKOHES-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.97
ALogP
7
HBA
1
HBD
87.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] CHEMBL1293255 | IC50 | 9.0 | 8.96 | 1.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2866.67 | ng.hr.mL-1 | Mus musculus |
| Cmax | 10600.0 | nM | Mus musculus |
| T1/2 | 1.517 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Esc... | 28398755 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 1.14 | nM | 8.94 | In Vitro Assay: Each compound for inhibiting enzymatic activity of recombinant 1... | - |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | IC50 | = | 1.14 | nM | 8.94 | In Vitro Assay: Assays were done by measuring the transfer of tritium from 15(S)... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28398755 | 10.1021/acs.jmedchem.7b00271 | Mus musculus | 5 |
| 28398755 | 10.1021/acs.jmedchem.7b00271 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 3 |
| 28398755 | 10.1021/acs.jmedchem.7b00271 | Plasma | 2 |
| 28398755 | 10.1021/acs.jmedchem.7b00271 | No relevant target | 1 |
| 28398755 | 10.1021/acs.jmedchem.7b00271 | Liver | 1 |
Data from ChEMBL 36 via Core Engine