Compound Detail
CHEMBL413980
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL413980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWBYZJKGHFJGLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.77
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dehydrogenase/reductase SDR family member 9 CHEMBL1075220 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dehydrogenase/reductase SDR family member 9 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reductio... | 17517512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517512 | 10.1016/j.bmc.2007.04.050 | Rattus norvegicus | 2 |
| 17517512 | 10.1016/j.bmc.2007.04.050 | Dehydrogenase/reductase SDR family member 9 | 2 |
Data from ChEMBL 36 via Core Engine