Compound Detail
CHEMBL1484618
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Basic Information
| ChEMBL ID | CHEMBL1484618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDHJASVIEYCSCZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
3.18
ALogP
6
HBA
1
HBD
102.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.99
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.99 | 5.99 | 1036.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| Mitochondrial peptide methionine sulfoxide reductase CHEMBL2007622 | EC50 | 4.44 | 4.44 | 36416.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1036.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 1210.0 | nM | 5.92 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Mitochondrial peptide methionine sulfoxide reductase | EC50 | = | 36416.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
Data from ChEMBL 36 via Core Engine