Compound Detail
CHEMBL1415084
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Basic Information
| ChEMBL ID | CHEMBL1415084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBSKQOIYKJFAJN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
4.35
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.41
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.41 | 7.29 | 39.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 39.0 | nM | 7.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Trypanosoma cruzi | IC50 | = | 54.0 | nM | 7.27 | Antitrypanosomal activity against trypomastigote form of Trypanosoma cruzi Tulah... | 22018462 |
| Unchecked | EC50 | = | 68.0 | nM | 7.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22018462 | 10.1016/j.bmcl.2011.09.057 | NIH3T3 | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | Trypanosoma cruzi | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine