Compound Detail
CHEMBL3637845
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Basic Information
| ChEMBL ID | CHEMBL3637845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANCBHJKEYPZCTE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
3.28
ALogP
5
HBA
2
HBD
98.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.52 | 5.24 | 2990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2990.0 | nM | 5.52 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Trypanosoma brucei brucei | IC50 | = | 11000.0 | nM | 4.96 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Mycobacterium tuberculosis | 17 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 5 |
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 3 |
| 37544185 | 10.1016/j.ejmech.2023.115702 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| 26941930 | 10.1039/c5md00376h | Mycobacterium tuberculosis | 1 |
| 31986405 | 10.1016/j.ejmech.2020.112075 | Mycobacterium tuberculosis | 1 |
| 32920342 | 10.1016/j.ejmech.2020.112772 | Mycobacterium tuberculosis | 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/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| 30875203 | 10.1021/acs.jmedchem.9b00010 | Mycobacterium tuberculosis | 1 |
| 30647879 | 10.1039/C8MD00319J | Unchecked | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine