Compound Detail
CHEMBL398079
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Cc1cccc(N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL398079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXDZREWVVHXUGK-AJTFRIOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
4.09
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of bovine PDE5 after 24 hrs by HTRF | 17107795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107795 | 10.1016/j.bmcl.2006.10.069 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 21504142 | 10.1021/jm1014617 | Plasmodium falciparum | 1 |
| 21504142 | 10.1021/jm1014617 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine