Compound Detail
CHEMBL1371983
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Basic Information
| ChEMBL ID | CHEMBL1371983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSUCEMBQGAHZDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.08
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-1 CHEMBL2688 | EC50 | 4.53 | 4.53 | 29400.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.31 | 4.31 | 48900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-1 | EC50 | = | 29400.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase HKDC1 | EC50 | = | 48900.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine