Compound Detail
CHEMBL1432378
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Basic Information
| ChEMBL ID | CHEMBL1432378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUBNWPQQSXLHOK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.18
ALogP
8
HBA
1
HBD
92.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.45 | 5.34 | 3569.0 | 2 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.76 | 4.76 | 17400.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3569.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 5846.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Hexokinase-1 | EC50 | = | 17400.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase HKDC1 | EC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine