Compound Detail
CHEMBL102635
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Basic Information
| ChEMBL ID | CHEMBL102635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBELIXRJJBCGOR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
6.11
ALogP
3
HBA
1
HBD
61.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 4.1 | nM | 8.39 | Inhibition of phosphodiesterase type IV (PDE4) activity | 9873675 |
| Phosphodiesterase 4 | Ki | = | 12.0 | nM | 7.92 | Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) | 9873675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Phosphodiesterase 4 | 2 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Mus musculus | 1 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine