Compound Detail
CHEMBL3580733
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Basic Information
| ChEMBL ID | CHEMBL3580733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCEJROJEDFESGY-CMDGGOBGSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.21
ALogP
8
HBA
0
HBD
96.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.67
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.67 | 4.67 | 21400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.43 | 4.43 | 37500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.03 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 21400.0 | nM | 4.67 | Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells... | - |
| NON-PROTEIN TARGET | IC50 | = | 37500.0 | nM | 4.43 | Anti-platelet activity in rabbit platelet-rich plasma assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00022F | NON-PROTEIN TARGET | 10 |
| 29432947 | 10.1016/j.ejmech.2018.01.097 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine