Compound Detail
CHEMBL3752417
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Basic Information
| ChEMBL ID | CHEMBL3752417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUPVYTZAATYUOE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
1.43
ALogP
6
HBA
1
HBD
69.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 3.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 3.92 | 3.57 | 121000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 121000.0 | nM | 3.92 | Binding affinity to Bacillus anthracis PurE by Surface Plasmon Resonance analysi... | 26740153 |
| Unchecked | Kd | = | 604000.0 | nM | 3.22 | Binding affinity to Bacillus anthracis PurE by intrinsic tryptophan fluorescence... | 26740153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26740153 | 10.1016/j.bmc.2015.12.029 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine