Compound Detail
CHEMBL1290231
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Basic Information
| ChEMBL ID | CHEMBL1290231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLXIJJURUIXRFK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of pig pancreatic lipase type 2 using p-nitrophenyl butyrate as subst... | 33646787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20800321 | 10.1016/j.ejmech.2010.08.016 | Radical scavenging activity | 1 |
| 33646787 | 10.1021/acs.jnatprod.0c01387 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine