Compound Detail
CHEMBL2407601
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Basic Information
| ChEMBL ID | CHEMBL2407601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMBGTNKKOSVECG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.83
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 5.57 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Burkholderia pseudomallei recombinant methionine aminopeptidase 1 ... | 24376907 |
| Unchecked | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni... | 28089350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24376907 | 10.1021/ml400034m | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | NON-PROTEIN TARGET | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine