Compound Detail
CHEMBL424121
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Basic Information
| ChEMBL ID | CHEMBL424121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFAJVIYMOBCWOU-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.58
ALogP
4
HBA
4
HBD
125.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.68 | 8.595 | 2.1 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.74 | 7.74 | 18.3 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 2.1 | nM | 8.68 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 17517831 |
| Trypanosoma brucei rhodesiense | IC50 | = | 3.1 | nM | 8.51 | In vitro inhibitory activity against T. b. rhodesiense | 14561095 |
| Trypanosoma brucei brucei | IC50 | = | 3.3 | nM | 8.48 | Antitrypanosomal activity against Trypanosoma brucei brucei S427 after 72 hrs | 17517831 |
| Plasmodium falciparum | IC50 | = | 18.3 | nM | 7.74 | In vitro inhibitory activity against Plasmodium falciparum | 14561095 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of His6x-tagged recombinant PRMT1 (unknown origin) expressed in Esche... | 24564570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19786604 | 10.1128/aac.00422-09 | Trypanosoma evansi | 6 |
| 17517831 | 10.1128/aac.00005-07 | Unchecked | 3 |
| 14561095 | 10.1021/jm0302602 | Nucleic Acid | 2 |
| 14561095 | 10.1021/jm0302602 | Mus musculus | 2 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei brucei | 2 |
| 14561095 | 10.1021/jm0302602 | Trypanosoma brucei rhodesiense | 1 |
| 14561095 | 10.1021/jm0302602 | Plasmodium falciparum | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei rhodesiense | 1 |
| 24564570 | 10.1021/jm401884z | Protein arginine N-methyltransferase 1 | 1 |
| 24564570 | 10.1021/jm401884z | Protein arginine N-methyltransferase 5 | 1 |
| 24564570 | 10.1021/jm401884z | Histone-arginine methyltransferase CARM1 | 1 |
| 24564570 | 10.1021/jm401884z | Protein arginine N-methyltransferase 6 | 1 |
Data from ChEMBL 36 via Core Engine