Compound Detail
CHEMBL2098452
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Basic Information
| ChEMBL ID | CHEMBL2098452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHIZJLVRHIRLEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.93
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1075293 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 50.0 | nM | 7.3 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
| Epoxide hydrolase 1 | IC50 | = | 100.0 | nM | 7.0 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine