Compound Detail
CHEMBL4446605
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Basic Information
| ChEMBL ID | CHEMBL4446605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRMBXNTTWGHDTQ-UGKPPGOTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
-0.17
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 7.4 | 7.225 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 40.0 | nM | 7.4 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... | 31495177 |
| Trypanosoma cruzi | EC50 | = | 89.0 | nM | 7.05 | Antitrypanosomal activity against Trypanosoma cruzi Y amastigotes infected in Sw... | 31495177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Unchecked | 27 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Trypanosoma cruzi | 12 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Cytochrome P450 | 4 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | UDP-glucuronosyltransferases (UGTs) | 4 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | ADMET | 3 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | L929 | 1 |
Data from ChEMBL 36 via Core Engine