Compound Detail
CHEMBL119395
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL119395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUXUBWLCLZNEFG-KQQUZDAGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.63
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
EC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.11 | 4.97 | 7770.0 | 2 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.06 | 4.06 | 86700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 7770.0 | nM | 5.11 | In vitro growth inhibition of amastigotes of Trypanosoma cruzi | 15177472 |
| Trypanosoma cruzi | IC50 | = | 14850.0 | nM | 4.83 | In vitro growth inhibition of epimastigotes of Trypanosoma cruzi | 15177472 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 86700.0 | nM | 4.06 | Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xe... | 24905252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24905252 | 10.1021/jm5002277 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 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 |
Data from ChEMBL 36 via Core Engine