Compound Detail
CHEMBL33458
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Basic Information
| ChEMBL ID | CHEMBL33458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFEBZPOCGLTDQH-MDWZMJQESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.98
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.37 | 4.37 | 43000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human MAO-B using benzylamine as substrate | 32920430 |
| Plasmodium falciparum | IC50 | = | 43000.0 | nM | 4.37 | Growth inhibition of chloroquine-resistant Plasmodium falciparum K1 by [3H]hypox... | 12161120 |
| Plasmodium falciparum | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21349727 | 10.1016/j.bmc.2011.01.048 | Caenorhabditis elegans | 2 |
| 12161120 | 10.1016/s0960-894x(02)00430-4 | Plasmodium falciparum | 1 |
| 8496911 | 10.1021/jm00062a016 | Homo sapiens | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Unchecked | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine