Compound Detail
CHEMBL5715931
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CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12.Cl.O.O.O
Basic Information
| ChEMBL ID | CHEMBL5715931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBCDRHDULQYRTB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1520 |
| Active Moiety | CHEMBL1520 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
2.07
ALogP
8
HBA
1
HBD
112.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.15 | 9.12 | 0.7 | 2 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3878 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.7 | nM | 9.15 | Affinity Biochemical interaction: (scintillation proximity assay, inhibition of ... | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.81 | nM | 9.09 | Affinity Biochemical interaction: (scintillation proximity assay, inhibition of ... | - |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 11.0 | nM | 7.96 | Selectivity interaction (Enzymatic assay) EUB0002760aClOH PDE6A | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5723035 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| - | 10.6019/CHEMBL5715260 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine