Compound Detail
CHEMBL1801151
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
O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C4CC4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL1801151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQTAUZWIZMXKIL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
3.73
ALogP
7
HBA
2
HBD
118.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 2.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 0.55 | nM | 9.26 | Inhibition of PDE4A | 20933411 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.55 | nM | 9.26 | Inhibition of PDE4B | 20933411 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 0.55 | nM | 9.26 | Inhibition of PDE4D | 20933411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Rattus norvegicus | 2 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Phosphodiesterase 4 | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine