Compound Detail
CHEMBL481740
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Basic Information
| ChEMBL ID | CHEMBL481740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSTXGIIZMXYPDJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
2.74
ALogP
8
HBA
0
HBD
113.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 27.0 | nM | 7.57 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 29191556 |
| Trypanosoma brucei brucei | IC50 | = | 97.0 | nM | 7.01 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 29191556 |
| Trypanosoma cruzi | IC50 | = | 350.0 | nM | 6.46 | Antitrypanosomal activity against Trypanosoma cruzi | 29191556 |
| Leishmania infantum | IC50 | = | 7300.0 | nM | 5.14 | Antiparasitic activity against Leishmania infantum | 29191556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19099398 | 10.1021/jm801087e | Mycobacterium tuberculosis | 4 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | ADMET | 4 |
| 19099398 | 10.1021/jm801087e | Vero | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei brucei | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | L929 | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Unchecked | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | No relevant target | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei rhodesiense | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma cruzi | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Leishmania infantum | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine