Compound Detail
CHEMBL227240
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL227240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBJLSCITQUDAQD-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
75.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.97 | 5.68 | 1080.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.95 | 5.95 | 1120.8 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.59 | 5.59 | 2540.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.46 | 5.425 | 3500.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.39 | 5.39 | 4040.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 1080.0 | nM | 5.97 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 1120.8 | nM | 5.95 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 17439202 |
| Leishmania infantum | IC50 | = | 2540.0 | nM | 5.59 | AntiLeishmania activity L. infantum (macrophages) IC50 (uM) | - |
| Trypanosoma brucei brucei | IC50 | = | 3500.0 | nM | 5.46 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Trypanosoma cruzi | IC50 | = | 4040.0 | nM | 5.39 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 4060.0 | nM | 5.39 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
| Trypanosoma brucei brucei | IC50 | = | 4060.0 | nM | 5.39 | Antitrypanosomal activity against Trypanosoma brucei brucei by pathogen box scre... | 30647879 |
| L6 | IC50 | = | 18500.0 | nM | 4.73 | Cytotoxicity against rat L6 cells | 17439202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 4 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| 17439202 | 10.1021/jm0612867 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| 17439202 | 10.1021/jm0612867 | L6 | 1 |
Data from ChEMBL 36 via Core Engine