Compound Detail
CHEMBL102087
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CCOC(=O)c1sc(Nc2nc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c3ncn(CC)c3n2)nc1C
Basic Information
| ChEMBL ID | CHEMBL102087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJKDMQZRQPFONG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
2.74
ALogP
13
HBA
2
HBD
175.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Phosphodiesterase 7 | 15125967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125967 | 10.1016/j.bmcl.2004.03.021 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine