Detailed information for compound 535125
Basic information
Technical information
- TDR Targets ID: 535125
- Name: Ofloxacin
- MW: 397.828 | Formula: C18H21ClFN3O4
-
H donors: 1
H acceptors: 3
LogP: 0.72
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C.Cl
- InChi: 1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H
- InChiKey: CAOOISJXWZMLBN-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 118120-51-7
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Leishmania major | DNA topoisomerase ii | Curated by TDR Targets | References |
| Mycobacterium tuberculosis | DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | Curated by TDR Targets | References |
| Mycobacterium tuberculosis | DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | Curated by TDR Targets | References |
| Leishmania major | mitochondrial DNA topoisomerase II | Curated by TDR Targets | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | DNA topoisomerase II beta, putative | mitochondrial DNA topoisomerase II | 1236 aa | 1047 aa | 35.1 % |
| Trypanosoma cruzi | DNA topoisomerase II, putative | DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 714 aa | 649 aa | 26.5 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (ADMET) | = 0.29 mm | Phototoxic effect in mouse assessed as ear thickness at 140 mg/kg administered before UV light exposure relative to control | ChEMBL. | 18068979 |
| Activity (ADMET) | = 0.29 mm | Phototoxic effect in UV light irradiated mouse assessed as ear thickness at 140 mg/kg, after 24 hrs relative to control | ChEMBL. | 18068979 |
| Activity (ADMET) | = 0.3 mm | Phototoxic effect in UV light irradiated mouse assessed as ear thickness at 140 mg/kg, after 48 hrs relative to control | ChEMBL. | 18068979 |
| Activity (ADMET) | = 0.32 mm | Phototoxic effect in UV light irradiated mouse assessed as ear thickness at 140 mg/kg, after 4 hrs relative to control | ChEMBL. | 18068979 |
| Activity (ADMET) | = 0.35 mm | Phototoxic effect in UV light irradiated mouse assessed as ear thickness at 140 mg/kg, after 96 hrs relative to control | ChEMBL. | 18068979 |
| Activity (ADMET) | = 0.35 mm | Phototoxic effect in UV light irradiated mouse assessed as ear thickness at 140 mg/kg, after 72 hrs relative to control | ChEMBL. | 18068979 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- Search by CAS
- Search by CAS
- ChEMBL: CHEMBL556371
- PubChem: 189546
Bibliographic References
432 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.