Detailed information for compound 1923584
Basic information
Technical information
- TDR Targets ID: 1923584
- Name: 4-[[3-(5-chloro-2-methoxyphenyl)sulfonyl-7-me thyl2H-1,3-benzoxazole-5-carbonyl]amino]benzo ic acid
- MW: 502.924 | Formula: C23H19ClN2O7S
-
H donors: 2
H acceptors: 5
LogP: 3.8
Rotable bonds: 7
Rule of 5 violations (Lipinski): 2 - SMILES: COc1ccc(cc1S(=O)(=O)N1COc2c1cc(cc2C)C(=O)Nc1ccc(cc1)C(=O)O)Cl
- InChi: 1S/C23H19ClN2O7S/c1-13-9-15(22(27)25-17-6-3-14(4-7-17)23(28)29)10-18-21(13)33-12-26(18)34(30,31)20-11-16(24)5-8-19(20)32-2/h3-11H,12H2,1-2H3,(H,25,27)(H,28,29)
- InChiKey: UTGGWMLVIDMAFC-UHFFFAOYSA-N
Network
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Synonyms
- 4-[[3-(5-chloro-2-methoxy-phenyl)sulfonyl-7-methyl-2H-1,3-benzoxazole-5-carbonyl]amino]benzoic acid
- 4-[[[3-(5-chloro-2-methoxyphenyl)sulfonyl-7-methyl-2H-1,3-benzoxazol-5-yl]-oxomethyl]amino]benzoic acid
- 4-[[3-(5-chloro-2-methoxy-phenyl)sulfonyl-7-methyl-2H-1,3-benzoxazol-5-yl]carbonylamino]benzoic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | carnitine palmitoyltransferase 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Carnitine palmitoyltransferase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | carnitine palmitoyltransferase 1A (liver) | Starlite/ChEMBL | No references |
| Rattus norvegicus | Carnitine palmitoyltransferase 1A | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trichomonas vaginalis | Clan CA, family C1, cathepsin B-like cysteine peptidase | 0.0259 | 0 | 0.5 |
| Echinococcus granulosus | carnitine O palmitoyltransferase 1 liver | 0.0328 | 0.2525 | 1 |
| Trypanosoma cruzi | choline/carnitine O-acyltransferase, putative | 0.0328 | 0.2525 | 1 |
| Plasmodium falciparum | dipeptidyl aminopeptidase 2 | 0.0417 | 0.5784 | 0.5 |
| Trypanosoma brucei | carnitine O-palmitoyltransferase II, putative | 0.0301 | 0.1538 | 0.5 |
| Toxoplasma gondii | cathepsin CPC1 | 0.0417 | 0.5784 | 0.5 |
| Plasmodium falciparum | dipeptidyl aminopeptidase 1 | 0.0417 | 0.5784 | 0.5 |
| Toxoplasma gondii | preprocathepsin c precursor, putative | 0.0417 | 0.5784 | 0.5 |
| Plasmodium vivax | dipeptidyl aminopeptidase 2, putative | 0.0417 | 0.5784 | 0.5 |
| Giardia lamblia | Dipeptidyl-peptidase I precursor | 0.0417 | 0.5784 | 0.5 |
| Leishmania major | choline/Carnitine o-acyltransferase-like protein | 0.0328 | 0.2525 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0532 | 1 | 1 |
| Echinococcus multilocularis | carnitine O palmitoyltransferase 1, liver | 0.0328 | 0.2525 | 1 |
| Trypanosoma cruzi | choline/carnitine O-acyltransferase, putative | 0.0328 | 0.2525 | 1 |
| Schistosoma mansoni | dipeptidyl-peptidase I (C01 family) | 0.0417 | 0.5784 | 0.5 |
| Plasmodium vivax | dipeptidyl aminopeptidase 1, putative | 0.0417 | 0.5784 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.0782 uM | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform | ChEMBL. | No reference |
| IC50 (binding) | = 0.0794 uM | SUPPLEMENTARY | SUPPLEMENTARY. | No reference |
| IC50 (binding) | = 0.3116 uM | SUPPLEMENTARY | SUPPLEMENTARY. | No reference |
| IC50 (binding) | = 2.0143 uM | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 2 | ChEMBL. | No reference |
| IC50 (binding) | = 35.8804 uM | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform | ChEMBL. | No reference |
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:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
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
- ChEMBL: CHEMBL3431916
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.