Compound Detail
CHEMBL1770454
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Basic Information
| ChEMBL ID | CHEMBL1770454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJKVOOCZVZRNSY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
5.41
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.61 | 2000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of cytosolic PLA2alpha in human differentiated HL60 cells assessed as... | 21450464 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of recombinant cytosolic PLA2alpha assessed as inhibition of cleavage... | 21450464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21450464 | 10.1016/j.bmcl.2011.03.005 | Unchecked | 2 |
| 21450464 | 10.1016/j.bmcl.2011.03.005 | Liver | 1 |
| 21450464 | 10.1016/j.bmcl.2011.03.005 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine