Compound Detail
CHEMBL312375
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Basic Information
| ChEMBL ID | CHEMBL312375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGYRPPIHPQIGEZ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
3.91
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.06
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.03 | 7.03 | 93.0 | 3 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 6.69 | 6.69 | 204.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 87.0 | nM | 7.06 | Inhibition of TNF-alpha synthesis in human monocytes | 11140727 |
| Phosphodiesterase 4 | IC50 | = | 93.0 | nM | 7.03 | In vitro inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 93.33 | nM | 7.03 | Inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of human Phosphodiesterase 4 | 11140727 |
| Phosphodiesterase 4 | Ki | = | 204.0 | nM | 6.69 | Inhibition of rolipram binding to PDE4 | 11140727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852946 | 10.1016/s0960-894x(03)00493-1 | Phosphodiesterase 4 | 2 |
| 11140727 | 10.1016/s0960-894x(00)00587-4 | Phosphodiesterase 4 | 2 |
| 11140727 | 10.1016/s0960-894x(00)00587-4 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine