Compound Detail
CHEMBL1507162
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Basic Information
| ChEMBL ID | CHEMBL1507162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUESECBBBYRGKQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.35
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.32
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.32 | 7.32 | 47.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 47.8 | nM | 7.32 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | EC50 | = | 390.0 | nM | 6.41 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| Hexokinase HKDC1 | IC50 | = | 21000.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine