Compound Detail
CHEMBL3195968
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Basic Information
| ChEMBL ID | CHEMBL3195968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNDBUJJWVFFMOR-QPZBGDMRSA-N |
| Parent Compound | CHEMBL3304351 |
| Active Moiety | CHEMBL3304351 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.0
MW (Da)
1.67
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-1 CHEMBL2688 | EC50 | 4.37 | 4.37 | 42300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-1 | EC50 | = | 42300.0 | nM | 4.37 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine