Compound Detail
CHEMBL120919
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Basic Information
| ChEMBL ID | CHEMBL120919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFLEPVRTQXJQL-ZPUQHVIOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
1.84
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.24 | 4.745 | 5710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 2511.89 | nM | 5.6 | Agonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cell... | 20381363 |
| Trypanosoma cruzi | IC50 | = | 5710.0 | nM | 5.24 | In vitro growth inhibition of amastigotes of Trypanosoma cruzi | 15177472 |
| Trypanosoma cruzi | IC50 | = | 56130.0 | nM | 4.25 | In vitro growth inhibition of epimastigotes of Trypanosoma cruzi | 15177472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19523722 | 10.1016/j.ejmech.2009.05.004 | Quinolone resistance protein NorA | 3 |
| 20381363 | 10.1016/j.bmc.2010.03.013 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 15177472 | 10.1016/j.bmcl.2004.04.019 | Trypanosoma cruzi | 2 |
| 18848780 | 10.1016/j.bmc.2008.09.042 | Quinolone resistance protein NorA | 2 |
| 24905252 | 10.1021/jm5002277 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine