Compound Detail
CHEMBL165158
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Basic Information
| ChEMBL ID | CHEMBL165158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKYJZVUQHVNEJF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
61.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.23 | 5.23 | 5910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 26.0 | nM | 7.58 | Ability to block the release of TNF-alpha in human monocytes | - |
| U-937 | IC50 | = | 81.0 | nM | 7.09 | Ability to elevate intracellular levels of cAMP in human U937 cells | - |
| Homo sapiens | IC50 | = | 450.0 | nM | 6.35 | Ability to block the release of TNF-alpha in human whole blood | - |
| Phosphodiesterase 4 | IC50 | = | 5910.0 | nM | 5.23 | Tested for its ability to inhibit the hydrolysis of cAMP by human monocyte cytos... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00097-8 | ADMET | 1 |
| - | 10.1016/S0960-894X(97)00097-8 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(97)00097-8 | Phosphodiesterase 4 | 1 |
| - | 10.1016/S0960-894X(97)00097-8 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine