Compound Detail
CHEMBL514400
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Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL514400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZJGHQDKTZLTOT-HHHXNRCGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.0
MW (Da)
4.84
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of rat recombinant protein farnesyltransferase expressed in Sf9 cells... | 19239254 |
| Trypanosoma cruzi | EC50 | = | 12.0 | nM | 7.92 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes express... | 19239254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19239254 | 10.1021/jm801313t | Unchecked | 2 |
| 19239254 | 10.1021/jm801313t | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine