Compound Detail
CHEMBL5283670
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Basic Information
| ChEMBL ID | CHEMBL5283670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWANWXFGJCHFDU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.00
ALogP
7
HBA
0
HBD
95.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 540.0 | nM | 6.27 | Antitrypanosomal activity against Trypanosoma cruzi ATCC CCL92 assessed as reduc... | 33151678 |
| Trypanosoma brucei brucei | IC50 | = | 890.0 | nM | 6.05 | Antiparasitic activity against Trypanosoma brucei brucei BS427 assessed as paras... | 33151678 |
| Giardia intestinalis | IC50 | = | 7100.0 | nM | 5.15 | Antiparasitic activity against Giardia lamblia P15 WB assessed a inhibition of p... | 33151678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33151678 | 10.1021/acs.jmedchem.0c01372 | ADMET | 6 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | No relevant target | 4 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Mycobacterium tuberculosis | 2 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Trypanosoma brucei brucei | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Trypanosoma cruzi | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | HEK293 | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Giardia intestinalis | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Entamoeba histolytica | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Staphylococcus aureus | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Escherichia coli | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Klebsiella pneumoniae | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Acinetobacter baumannii | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Pseudomonas aeruginosa | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Candida albicans | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine