Compound Detail
CHEMBL1171074
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Basic Information
| ChEMBL ID | CHEMBL1171074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOTWVAYGATYZPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
145.5
MW (Da)
1.37
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of Trypanosoma brucei 6PGDH expressed in Escherichia coli by spectros... | 20598892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20598892 | 10.1016/j.bmc.2010.05.077 | Unchecked | 2 |
| 37011553 | 10.1016/j.ejmech.2023.115330 | Vibrio parahaemolyticus | 1 |
| 37011553 | 10.1016/j.ejmech.2023.115330 | Vibrio cholerae | 1 |
Data from ChEMBL 36 via Core Engine