Compound Detail
CHEMBL5630856
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COc1ccc(Cn2c(=O)c3cc(OCC#N)ccc3n(C3CC[S+]([O-])CC3)c2=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5630856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIRJTQAINLCWJS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
2.21
ALogP
9
HBA
0
HBD
118.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 7 | IC50 | = | 6.1 | nM | 8.21 | Inhibition of full length PDE7 (unknown origin) using FAM-cAMP as substrate by f... | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
Data from ChEMBL 36 via Core Engine