Compound Detail
CHEMBL4758588
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Basic Information
| ChEMBL ID | CHEMBL4758588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGUPICQZUCROIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.74
ALogP
6
HBA
1
HBD
71.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.9 | 4.9 | 12580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.74 | 18420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | IC50 | = | 12580.0 | nM | 4.9 | Inhibition of human MetAP1 expressed in Escherichia coli BL21 (DE3) using L-meth... | 31759728 |
| Unchecked | IC50 | = | 18420.0 | nM | 4.74 | Inhibition of Leishmania donovani MetAP1 expressed in Escherichia coli BL21 (DE3... | 31759728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31759728 | 10.1016/j.ejmech.2019.111860 | Methionine aminopeptidase 1 | 1 |
| 31759728 | 10.1016/j.ejmech.2019.111860 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine