Compound Detail
CHEMBL1721095
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Basic Information
| ChEMBL ID | CHEMBL1721095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEFYNLRCBQRIBG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.74
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.14
IC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.61 | 5.45 | 2470.0 | 2 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 5.14 | 5.14 | 7310.0 | 1 |
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.01 | 5.01 | 9816.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | IC50 | = | 2470.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 5100.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Endoribonuclease toxin MazF | EC50 | = | 7310.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Opioid receptors; mu & delta | EC50 | = | 9816.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine