Compound Detail
CHEMBL3142493
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COc1ccc(Sc2nc3c(N)ncnc3n2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL3142493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNRSRXBMBFUOR-XNIJJKJLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
1.34
ALogP
12
HBA
3
HBD
164.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.57 | 4.445 | 27000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of cAMP phosphodiesterase preparation from bovine heart at a substrat... | 6245211 |
| Phosphodiesterase 4 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of cAMP phosphodiesterase preparation from rabbit lung at a substrate... | 6245211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6245211 | 10.1021/jm00177a007 | Phosphodiesterase 4 | 3 |
| 6245211 | 10.1021/jm00177a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine