Compound Detail
CHEMBL1492213
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Basic Information
| ChEMBL ID | CHEMBL1492213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAYLYXGTFXGDOM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.92
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 6.43 | 5.59 | 372.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.09 | 4.855 | 8050.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 372.0 | nM | 6.43 | PUBCHEM_BIOASSAY: uHTS identification of compounds inhibiting the binding betwee... | - |
| Hexokinase HKDC1 | IC50 | = | 8050.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 17700.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Identification of compounds inhibiting the binding between the... | - |
| Hexokinase HKDC1 | IC50 | = | 24000.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine