Compound Detail
CHEMBL1231909
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Basic Information
| ChEMBL ID | CHEMBL1231909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBTZVNKXMFGOOJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
3.25
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1075293 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 40.0 | nM | 7.4 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
| Epoxide hydrolase 1 | IC50 | = | 290.0 | nM | 6.54 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 28432943 | 10.1016/j.ejmech.2017.04.005 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine