Compound Detail
CHEMBL571295
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Basic Information
| ChEMBL ID | CHEMBL571295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVFBWWXDABNKV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.13
ALogP
6
HBA
0
HBD
74.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.96 | 5.96 | 1093.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 90.0 | nM | 7.05 | Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluor... | 19908842 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of recombinant Trypanosoma brucei rhodesain after 5 mins by spectrofl... | 19908842 |
| Galanin receptor type 3 | IC50 | = | 1093.0 | nM | 5.96 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908842 | 10.1021/jm901069a | Unchecked | 2 |
| 19908842 | 10.1021/jm901069a | Cruzipain | 1 |
| 19908842 | 10.1021/jm901069a | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine