Compound Detail
CHEMBL1671905
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Basic Information
| ChEMBL ID | CHEMBL1671905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOXKDUGGOYFFRN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.21
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human PDE5A | 26908025 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human His-tagged PDE5A catalytic domain expressed in Escherichia c... | 26908025 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human ERG | 21185626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158845 | 10.1038/s41586-019-1291-3 | ADMET | 54 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 21185626 | 10.1016/j.ejmech.2010.11.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine