Compound Detail
CHEMBL182953
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CCOC(=O)c1sc(Nc2nc(N3CCNCC3)c3c(n2)N(Cc2ccc(S(C)(=O)=O)cc2)CCC3)nc1C
Basic Information
| ChEMBL ID | CHEMBL182953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPKRUGWZEIVUJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.7
MW (Da)
2.93
ALogP
12
HBA
2
HBD
129.7
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of Phosphodiesterase 7 | 15780616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780616 | 10.1016/j.bmcl.2005.02.025 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine