Compound Detail
CHEMBL1628659
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CN1C(=O)c2[nH]c(Cc3ccc(C(F)(F)F)cc3)nc2N2C1=N[C@@H]1CCC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1628659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOSMPBVYYKRYLG-OLZOCXBDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.20
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of PDE5 (unknown origin) | 28406621 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of PDE1 (unknown origin) | 28406621 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of PDE1 (unknown origin) | 38614063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28406621 | 10.1021/acs.jmedchem.7b00302 | Unchecked | 1 |
| 28406621 | 10.1021/acs.jmedchem.7b00302 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine