Compound Detail
CHEMBL3580722
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Basic Information
| ChEMBL ID | CHEMBL3580722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHVPMRDIRQLUPV-SOFGYWHQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.73
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.35 | 4.35 | 44600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.16 | 4.16 | 69400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 44600.0 | nM | 4.35 | Anti-platelet activity in rabbit platelet-rich plasma assessed as inhibition of ... | - |
| NON-PROTEIN TARGET | EC50 | = | 69400.0 | nM | 4.16 | Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00022F | NON-PROTEIN TARGET | 10 |
Data from ChEMBL 36 via Core Engine