Compound Detail
CHEMBL1872842
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Basic Information
| ChEMBL ID | CHEMBL1872842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCTSQCRTBXPIIU-UHFFFAOYSA-N |
8
Targets
21
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 20 meas. best 7.11
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.82 | 6.81 | 150.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.82 | 6.665 | 150.0 | 6 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.4 | 6.275 | 398.1 | 6 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.7 | 15848.9 | 2 |
| NIH3T3 CHEMBL614822 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 4 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma cruzi | 2 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Unchecked | 2 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma brucei brucei | 2 |
| 27102161 | 10.1016/j.bmc.2016.04.006 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3430912 | NIH3T3 | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine