Compound Detail
CHEMBL4439384
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Basic Information
| ChEMBL ID | CHEMBL4439384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAYKBJFWLAKGMR-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.74
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 85/88 kDa calcium-independent phospholipase A2 CHEMBL3213 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 85/88 kDa calcium-independent phospholipase A2 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human recombinant G6A iPLA2 using arachidonyl-1-14C PAPC and PAPC ... | 30798607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30798607 | 10.1021/acs.jmedchem.8b01216 | 85/88 kDa calcium-independent phospholipase A2 | 3 |
| 30798607 | 10.1021/acs.jmedchem.8b01216 | Cytosolic phospholipase A2 | 1 |
| 30798607 | 10.1021/acs.jmedchem.8b01216 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine