Compound Detail
CHEMBL2440958
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 | CHEMBL2440958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRLBQIIKFEDGA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
5.86
ALogP
6
HBA
2
HBD
78.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.7
Kd 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 0.2 | nM | 9.7 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in 3T3 cel... | 24120539 |
| Unchecked | Kd | = | 490.0 | nM | 6.31 | Inhibition of recombinant Trypanosoma cruzi sterol 14-alpha-demethylase by spect... | 24120539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24120539 | 10.1016/j.bmcl.2013.08.015 | No relevant target | 1 |
| 24120539 | 10.1016/j.bmcl.2013.08.015 | ADMET | 1 |
| 24120539 | 10.1016/j.bmcl.2013.08.015 | Unchecked | 1 |
| 24120539 | 10.1016/j.bmcl.2013.08.015 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine