Compound Detail
CHEMBL473777
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O=C(O)c1ccc(Cc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL473777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZNDSNAMBZKQFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
649.2
MW (Da)
7.88
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of cytosolic phospholipase A2alpha by GLU micelle assay | 18498150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18498150 | 10.1021/jm701467e | Unchecked | 1 |
| 18498150 | 10.1021/jm701467e | Blood | 1 |
Data from ChEMBL 36 via Core Engine