Compound Detail
CHEMBL428
TROVAFLOXACIN 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL428 |
| Name | TROVAFLOXACIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WVPSKSLAZQPAKQ-CDMJZVDBSA-N |
| Therapeutic | ✓ Yes |
7
Targets
15
Activities
2
Assay Types
16
PK Parameters
20
Publications
6
Known Names
2
Indications
2
Mechanisms
Molecular Properties
416.4
MW (Da)
1.89
ALogP
6
HBA
2
HBD
101.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Withdrawn |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Topoisomerase IV inhibitor | INHIBITOR | Topoisomerase IV | ✓ | ✓ |
| Bacterial DNA gyrase inhibitor | INHIBITOR | Bacterial DNA gyrase | ✓ | ✓ |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
J01MA13
trovafloxacin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 14 meas. best 6.02
Ki 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.7 | 5.61 | 2000.0 | 2 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.39 | 5.39 | 4023.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.75 | 4.5614 | 18000.0 | 7 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 4.31 | 4.31 | 49412.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 4.21 | 4.21 | 62191.0 | 1 |
| Plasmodium yoelii yoelii CHEMBL612328 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 40000.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.2 | mL.min-1.kg-1 | Macaca |
| CL | 9.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 6004.42 | nM | Homo sapiens |
| F | 88.0 | % | Homo sapiens |
| Fu | 0.24 | - | Homo sapiens |
| Fu | 0.24 | - | Homo sapiens |
| MRT | 15.0 | hr | Homo sapiens |
| T1/2 | 11.0 | hr | Homo sapiens |
| T1/2 | 12.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine