Compound Detail
CHEMBL99494
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Basic Information
| ChEMBL ID | CHEMBL99494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAKMUAOMXHIOEY-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.29
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Ki 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.99 | 5.685 | 1020.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.99 | 5.99 | 1020.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of rolipram binding | 9873649 |
| Unchecked | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]rolipram from PDE4 by RBA | 18686943 |
| Phosphodiesterase 4 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of PDE4 | 9873649 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of PDE4 | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873649 | 10.1016/s0960-894x(98)00524-1 | Phosphodiesterase 4 | 3 |
| 9873649 | 10.1016/s0960-894x(98)00524-1 | Cavia porcellus | 2 |
| 18686943 | 10.1021/jm800582j | Unchecked | 2 |
| 9873649 | 10.1016/s0960-894x(98)00524-1 | Mustela putorius furo | 1 |
Data from ChEMBL 36 via Core Engine