Compound Detail
CHEMBL1722692
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Basic Information
| ChEMBL ID | CHEMBL1722692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UATQPZUWKRIYBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.06
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase CHEMBL1741201 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase | IC50 | = | 7900.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexoki... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Staphylococcus aureus | 6 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Escherichia coli | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Pseudomonas aeruginosa | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Klebsiella pneumoniae | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Candida albicans | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Cryptococcus neoformans | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Sporothrix schenckii | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Trichophyton mentagrophytes | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Aspergillus fumigatus | 2 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Candida parapsilosis | 2 |
| - | 10.1039/C3MD00034F | No relevant target | 1 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Plasmodium falciparum | 1 |
| 28159413 | 10.1016/j.bmcl.2017.01.027 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine