Compound Detail
CHEMBL1485159
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Basic Information
| ChEMBL ID | CHEMBL1485159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCNZELNVICFCHO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1622128 |
| Active Moiety | CHEMBL1622128 |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
1.62
ALogP
3
HBA
2
HBD
49.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.62
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.62 | 5.62 | 2380.0 | 1 |
| Mitochondrial peptide methionine sulfoxide reductase CHEMBL2007622 | EC50 | 5.45 | 5.45 | 3534.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.34 | 4520.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.07 | 5962.0 | 2 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 2380.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Mitochondrial peptide methionine sulfoxide reductase | EC50 | = | 3534.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
| Unchecked | EC50 | = | 4520.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Confirmation dose response of additional hit compounds from hi... | - |
| Unchecked | IC50 | = | 5962.0 | nM | 5.22 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Matrix metalloproteinase-14 | IC50 | = | 10500.0 | nM | 4.98 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Unchecked | IC50 | = | 12151.0 | nM | 4.92 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine