Compound Detail
CHEMBL5277857
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Basic Information
| ChEMBL ID | CHEMBL5277857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDJJMCQSMYGULA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.58
ALogP
8
HBA
0
HBD
95.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 210.0 | nM | 6.68 | Antitrypanosomal activity against Trypanosoma cruzi ATCC CCL92 assessed as reduc... | 33151678 |
| Trypanosoma brucei brucei | IC50 | = | 530.0 | nM | 6.28 | Antiparasitic activity against Trypanosoma brucei brucei BS427 assessed as paras... | 33151678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine