Compound Detail
CHEMBL3404009
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Basic Information
| ChEMBL ID | CHEMBL3404009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLSMZPSUVVCQRD-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
2.77
ALogP
7
HBA
1
HBD
80.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.07
IC50 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 9.07 | 9.07 | 0.9 | 1 |
| Corpus cavernosum CHEMBL4651287 | EC50 | 9.07 | 9.07 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corpus cavernosum | EC50 | = | 0.85 | nM | 9.07 | Relaxation effect on phenylephrine-induced contractile response in isolated rabb... | 25754491 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.86 | nM | 9.07 | Inhibition of canine lung PDE5 using [3H]cGMP incubated for 30 mins by scintilla... | 25754491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25754491 | 10.1016/j.bmcl.2015.02.041 | Corpus cavernosum | 1 |
| 25754491 | 10.1016/j.bmcl.2015.02.041 | Unchecked | 1 |
| 25754491 | 10.1016/j.bmcl.2015.02.041 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine