Compound Detail
CHEMBL2172373
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2172373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQTBOQXYPPPCCB-HDJSIYSDSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
5.55
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 20682.59 | ng.hr.mL-1 | Mustela putorius furo |
| Cmax | 10500.0 | nM | Mustela putorius furo |
| T1/2 | 1.867 | hr | Mustela putorius furo |
| Tmax | 1.75 | hr | Mustela putorius furo |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
| Phosphodiesterase 4 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of PDE4 in human PBMC assessed as inhibition of LPS-induced TNFalpha ... | 22889281 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 107.0 | nM | 6.97 | Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22889281 | 10.1021/jm300459a | Mustela putorius furo | 5 |
| 22889281 | 10.1021/jm300459a | Rattus norvegicus | 2 |
| 22889281 | 10.1021/jm300459a | ADMET | 1 |
| 22889281 | 10.1021/jm300459a | No relevant target | 1 |
| 22889281 | 10.1021/jm300459a | Phosphodiesterase 4 | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine