Compound Detail
CHEMBL45721
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Basic Information
| ChEMBL ID | CHEMBL45721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHGLROTYMYQNCC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.13
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.39
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 410.0 | nM | 6.39 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Legionella pneumophila recombinant PAH assessed as tyrosine produc... | 26458252 |
| Human immunodeficiency virus 1 | EC50 | = | 18500.0 | nM | 4.73 | In vitro antiviral activity in Phytohemagglutininin stimulated human PBM cells i... | 2033597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 1 | 2 |
| 26458252 | 10.1021/acs.jmedchem.5b01589 | Unchecked | 2 |
| 2033597 | 10.1021/jm00109a031 | Human immunodeficiency virus 1 | 1 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine