Compound Detail
CHEMBL429921
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Basic Information
| ChEMBL ID | CHEMBL429921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVMINRJLBADTKR-UHFFFAOYSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.21
ALogP
6
HBA
4
HBD
72.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Kd 3 meas. best 5.56
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.02 | 7.02 | 95.5 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.56 | 5.21 | 2780.0 | 3 |
| L6 CHEMBL614793 | IC50 | 4.46 | 4.46 | 34900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16.0 | nM | 7.8 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 54.0 | nM | 7.27 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Unchecked | Ki | = | 95.5 | nM | 7.02 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Unchecked | Kd | = | 2780.0 | nM | 5.56 | Binding affinity to biotin labelled 5'-CGAATTCGTCTCCGAATTCG-3' hairpin dsDNA (un... | - |
| Unchecked | Kd | = | 4350.0 | nM | 5.36 | Binding affinity to biotin labelled 5'-CATATATATCCCCATATATATG-3' hairpin dsDNA (... | - |
| Unchecked | Kd | = | 19600.0 | nM | 4.71 | Binding affinity to biotin labelled 5'-CGCGCGCGTTTTCGCGCGCG-3' hairpin dsDNA (un... | - |
| L6 | IC50 | = | 34900.0 | nM | 4.46 | Cytotoxicity against rat L6 cells | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00292C | Unchecked | 5 |
| 25158031 | 10.1021/jm5008006 | Unchecked | 4 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 3 |
| 18247550 | 10.1021/jm7013088 | Unchecked | 3 |
| 18459731 | 10.1021/jm800026x | Rattus norvegicus | 2 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 18247550 | 10.1021/jm7013088 | Ferriprotoporphyrin IX | 1 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
| 24900577 | 10.1021/ml300326v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine