Compound Detail
CHEMBL1906786
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 | CHEMBL1906786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSPSCIMSQMTXFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.2
MW (Da)
3.34
ALogP
7
HBA
1
HBD
142.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 7220.0 | nM | 5.14 | Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 cells ... | 30429100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429100 | 10.1016/j.bmc.2018.10.044 | Aldo-keto reductase family 1 member C3 | 2 |
Data from ChEMBL 36 via Core Engine