Compound Detail
CHEMBL2375609
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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(-c3ccccn3)nc3ccccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL2375609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTTRPGNGUNHCDS-MHZLTWQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.69
ALogP
5
HBA
1
HBD
78.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 7.03 | 6.25 | 93.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 93.0 | nM | 7.03 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Methionine aminopeptidase 1 | EC50 | = | 3400.0 | nM | 5.47 | 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 |
Data from ChEMBL 36 via Core Engine