Compound Detail
CHEMBL3113934
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O=C(O[C@@H](Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc(OC(F)F)c(OCC2CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3113934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWJORUKKCABZPO-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
644.5
MW (Da)
8.31
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP ... | 24400806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24400806 | 10.1021/jm401549m | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine