Compound Detail
CHEMBL1712985
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Basic Information
| ChEMBL ID | CHEMBL1712985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWGHUUYCZZJMDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.84
ALogP
4
HBA
1
HBD
51.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase CHEMBL1741201 | IC50 | 5.32 | 5.32 | 4782.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase | IC50 | = | 4782.33 | nM | 5.32 | PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexoki... | - |
Data from ChEMBL 36 via Core Engine