Compound Detail
CHEMBL420335
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O=C(N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL420335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPFYXENOJPYPGY-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.66
ALogP
3
HBA
2
HBD
77.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radio... | 10636238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 4 | 2 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase 3 | 1 |
| 10636238 | 10.1016/s0960-894x(99)00573-9 | Phosphodiesterase, PDE1/PDE5 | 1 |
Data from ChEMBL 36 via Core Engine