Compound Detail
CHEMBL3781803
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Basic Information
| ChEMBL ID | CHEMBL3781803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMENGMKWMNNSIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.23
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.067 | hr | Homo sapiens |
| T1/2 | 0.4333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3.9 | nM | 8.41 | Antiferroptotic activity in human IMR32 neuroblastoma cells assessed as inhibiti... | 26696014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26696014 | 10.1021/acs.jmedchem.5b01641 | Plasma | 2 |
| 26696014 | 10.1021/acs.jmedchem.5b01641 | NON-PROTEIN TARGET | 1 |
| 26696014 | 10.1021/acs.jmedchem.5b01641 | No relevant target | 1 |
| 26696014 | 10.1021/acs.jmedchem.5b01641 | Liver microsome | 1 |
| 26696014 | 10.1021/acs.jmedchem.5b01641 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine