Compound Detail
CHEMBL3142496
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O=P1(O)OC[C@H]2O[C@@H](n3cnc4c(=S)[nH]cnc43)[C@H](O)[C@@H]2O1
Basic Information
| ChEMBL ID | CHEMBL3142496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTFLPNUVMQRDAX-KQYNXXCUSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
0.26
ALogP
9
HBA
3
HBD
131.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.54 | 4.41 | 29000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of cAMP phosphodiesterase preparation from bovine heart at a substrat... | 6245211 |
| Phosphodiesterase 4 | IC50 | = | 53000.0 | nM | 4.28 | 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 |
| 221658 | 10.1021/jm00193a012 | S49 | 3 |
| 6245211 | 10.1021/jm00177a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine