Compound Detail
CHEMBL1329554
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Basic Information
| ChEMBL ID | CHEMBL1329554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBVDUESHTFZMLI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.53
ALogP
5
HBA
0
HBD
51.1
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 7.31
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 7.31 | 5.85 | 49.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5217.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 49.0 | nM | 7.31 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Unchecked | IC50 | = | 5217.0 | nM | 5.28 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Methionine aminopeptidase 1 | EC50 | = | 41000.0 | nM | 4.39 | Inhibition of human methionine aminopeptidase 1 in presence of Mn2+ | 23634668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 1 | 2 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 2 | 1 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine