Compound Detail
CHEMBL3924359
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Basic Information
| ChEMBL ID | CHEMBL3924359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADRFTNFHVKVATK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
3.66
ALogP
2
HBA
1
HBD
50.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni... | 28089350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38169270 | 10.1016/j.ejmech.2023.116073 | Unchecked | 2 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Unchecked | 1 |
| 32530281 | 10.1021/acs.jmedchem.0c00373 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine