Compound Detail
CHEMBL3315088
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 | CHEMBL3315088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOKIHKLKOZWCRY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
8
PK Parameters
18
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
3.74
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5.45 | ng.hr.mL-1 | Homo sapiens |
| AUC | 14.9 | ng.hr.mL-1 | Homo sapiens |
| AUC | 49.2 | ng.hr.mL-1 | Homo sapiens |
| AUC | 100.0 | ng.hr.mL-1 | Homo sapiens |
| Cmax | 0.6322 | nM | Homo sapiens |
| Cmax | 1.709 | nM | Homo sapiens |
| Cmax | 5.416 | nM | Homo sapiens |
| Cmax | 11.49 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2.8 | nM | 8.55 | Inhibition of PDE4 (unknown origin) | 33054196 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioacti... | 24984230 |
| PBMC | IC50 | = | 16.0 | nM | 7.8 | Inhibition of LPS-induced TNFalpha release in human PBMC preincubated for 30 min... | 24984230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24984230 | 10.1021/jm500378a | Homo sapiens | 9 |
| 24984230 | 10.1021/jm500378a | No relevant target | 7 |
| 24984230 | 10.1021/jm500378a | Mus musculus | 4 |
| 33054196 | 10.1021/acs.jmedchem.0c00797 | ADMET | 2 |
| 24984230 | 10.1021/jm500378a | Mustela putorius furo | 2 |
| 24984230 | 10.1021/jm500378a | Phosphodiesterase 8 | 1 |
| 33054196 | 10.1021/acs.jmedchem.0c00797 | Phosphodiesterase 4 | 1 |
| 24984230 | 10.1021/jm500378a | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 24984230 | 10.1021/jm500378a | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 24984230 | 10.1021/jm500378a | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 24984230 | 10.1021/jm500378a | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24984230 | 10.1021/jm500378a | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 24984230 | 10.1021/jm500378a | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 24984230 | 10.1021/jm500378a | Phosphodiesterase 3 | 1 |
| 24984230 | 10.1021/jm500378a | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 24984230 | 10.1021/jm500378a | Phosphodiesterase 1 | 1 |
| 24984230 | 10.1021/jm500378a | Liver microsome | 1 |
| 24984230 | 10.1021/jm500378a | PBMC | 1 |
Data from ChEMBL 36 via Core Engine