Compound Detail
CHEMBL2019119
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CNC(=O)C1CCN(c2ccc(-c3nc4snc(C5CCCCC5)c4c(=O)[nH]3)c(OC)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL2019119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQPPXPRVWTWIRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.07
ALogP
7
HBA
2
HBD
100.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.75 | 7.75 | 18.0 | 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 | = | 18.0 | nM | 7.75 | 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