Compound Detail
CHEMBL2375614
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Basic Information
| ChEMBL ID | CHEMBL2375614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USOJNBCSEBSXNR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.29
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.29
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 390.0 | nM | 6.41 | Inhibition of human methionine aminopeptidase 1 in presence of Co2+ | 23634668 |
| Plasmodium falciparum | IC50 | = | 510.0 | nM | 6.29 | Antimalarial activity: Gametocytes Plasmodium falciparum NF54 Gametocytes Stage ... | - |
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of Legionella pneumophila recombinant PAH assessed as tyrosine produc... | 26458252 |
| Plasmodium berghei | IC50 | = | 9700.0 | nM | 5.01 | Antimalarial activity: Liver Stage Plasmodium berghei sporozoite Luciferase assa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Plasmodium falciparum | 4 |
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 1 | 2 |
| 26458252 | 10.1021/acs.jmedchem.5b01589 | Unchecked | 2 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| 23634668 | 10.1021/jm400227z | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine