Compound Detail
CHEMBL2019114
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
COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL2019114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBTLLHLRUQGTQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.18
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 66.0 | nM | 7.18 | Displacement of [3H]-cAMP from human recombinant PDE7A | 22487174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22487174 | 10.1016/j.bmcl.2012.03.025 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine