Compound Detail
CHEMBL1096484
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CCn1cncc1C(NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL1096484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRGIJWMQZSGVFK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
6.24
ALogP
5
HBA
1
HBD
51.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
IC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 66.0 | nM | 7.18 | Inhibition of rat recombinant PFT expressed in insect Sf9 cells by scintillation... | 20429511 |
| Trypanosoma cruzi | EC50 | = | 100.0 | nM | 7.0 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 20429511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20429511 | 10.1021/jm9013136 | Unchecked | 1 |
| 20429511 | 10.1021/jm9013136 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine