Compound Detail
CHEMBL77651
SOPHOFLAVESCENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL77651 |
| Name | SOPHOFLAVESCENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMLJAWUWVVHRNG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.14 | 13.0 | 2 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 5.0 | nM | 8.3 | Inhibition of Phosphodiesterase 5 from rat diaphragm | 12161123 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 13.0 | nM | 7.89 | Inhibition of Phosphodiesterase 5 from rat diaphragm | 12161123 |
| Unchecked | IC50 | = | 13.0 | nM | 7.89 | Inhibition of rat diaphragm PDE5 | 19375311 |
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | Inhibition of Phosphodiesterase 3 from rat diaphragm | 12161123 |
| Phosphodiesterase 4 | IC50 | = | 2550.0 | nM | 5.59 | Inhibition of Phosphodiesterase 4 from rat liver | 12161123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161123 | 10.1016/s0960-894x(02)00401-8 | Unchecked | 3 |
| 12161123 | 10.1016/s0960-894x(02)00401-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 12161123 | 10.1016/s0960-894x(02)00401-8 | Phosphodiesterase 4 | 1 |
| 9868163 | 10.1021/np980103j | Human alphaherpesvirus 1 | 1 |
| 9868163 | 10.1021/np980103j | Human alphaherpesvirus 2 | 1 |
| 19375311 | 10.1016/j.bmcl.2009.03.125 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine