Compound Detail
CHEMBL537372
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Basic Information
| ChEMBL ID | CHEMBL537372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFLZALSVPWRSX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.01
ALogP
6
HBA
0
HBD
51.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.39 | 6.1975 | 410.0 | 4 |
| Plasmodium berghei CHEMBL612653 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 410.0 | nM | 6.39 | Antimalarial activity: Gametocytes Plasmodium falciparum NF54 Gametocytes Stage ... | - |
| Plasmodium berghei | IC50 | = | 630.0 | nM | 6.2 | Antimalarial activity: Liver Stage Plasmodium berghei sporozoite Luciferase assa... | - |
| Plasmodium falciparum | IC50 | = | 670.0 | nM | 6.17 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum Dd2 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 700.0 | nM | 6.16 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 860.0 | nM | 6.07 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum W2 IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Plasmodium falciparum | 5 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 2 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine