Compound Detail
CHEMBL1214316
TROVAFLOXACIN9 Enter ChEMBL ID:
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NC[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1214316 |
| Name | TROVAFLOXACIN9 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMSHTYNDVZZGX-CNDDSTCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.21
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 12000.0 | nM | 4.92 | Antimicrobial activity against Toxoplasma gondii | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20185316 | 10.1016/j.bmc.2010.01.068 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine