Detailed information for compound 47892

Basic information

Technical information
  • TDR Targets ID: 47892
  • Name: methyl N-[4-chloro-3-(5-methyl-1,3-benzoxazol -2-yl)phenyl]carbamate
  • MW: 316.739 | Formula: C16H13ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Nc1ccc(c(c1)c1nc2c(o1)ccc(c2)C)Cl
  • InChi: 1S/C16H13ClN2O3/c1-9-3-6-14-13(7-9)19-15(22-14)11-8-10(4-5-12(11)17)18-16(20)21-2/h3-8H,1-2H3,(H,18,20)
  • InChiKey: MZCYTJFRTQOALO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 1-acylglycerol-3-phosphate O-acyltransferase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Theileria parva hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania braziliensis 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Chlamydia trachomatis glycerol-3-phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Toxoplasma gondii acyltransferase domain-containing protein Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus Msx-like Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania infantum 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma brucei gambiense 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Candida albicans potential acyltransferase similar to S. cerevisiae SLC1 (YDL052C) 1-acylglycerol-3-phosphate O-acyltransferase involved in sphin Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma japonicum ko:K00655 1-acyl-sn-glycerol-3-phosphate acyltransferase [EC2.3.1.51], putative Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Neospora caninum hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania donovani 1-acyl-sn-glycerol-3-phosphateacyltransferase-l ik eprotein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Schistosoma mansoni transcription factor Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium knowlesi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis homeobox Get druggable targets OG5_126904 All targets in OG5_126904
Toxoplasma gondii acyltransferase domain-containing protein Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus multilocularis Phospholipid glycerol acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium berghei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Neospora caninum Lysophosphatidic acid acyltransferase, related Get druggable targets OG5_126904 All targets in OG5_126904
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC Get druggable targets OG5_126904 All targets in OG5_126904
Candida albicans potential acyltransferase similar to S. cerevisiae SLC1 (YDL052C) 1-acylglycerol-3-phosphate O-acyltransferase involved in sphin Get druggable targets OG5_126904 All targets in OG5_126904
Treponema pallidum lysophosphatidic acid acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus Phospholipid glycerol acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Leishmania mexicana 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative Get druggable targets OG5_126904 All targets in OG5_126904
Babesia bovis acyltransferase family protein Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium yoelii 1-acyl-sn-glycerol-3-phosphate acyltransferase (ec 2.3.1.51) (1-agp acyltransferase) (1-agpat) (lysophosphatidic acid acyltransf Get druggable targets OG5_126904 All targets in OG5_126904
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Cryptosporidium parvum glycerol-3-phosphate acyltransferase family, possible plant origin, possible signal peptide plus 2 transmembrane domains Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Brugia malayi Acyltransferase family protein Get druggable targets OG5_126904 All targets in OG5_126904

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0018 1 1
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0018 1 0.5
Loa Loa (eye worm) acyltransferase 0.0018 1 1
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0018 1 1
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0018 1 1
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 1 0.5
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0018 1 0.5
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0018 1 0.5
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0018 1 0.5
Toxoplasma gondii acyltransferase domain-containing protein 0.0018 1 0.5
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 1 1
Treponema pallidum lysophosphatidic acid acyltransferase 0.0018 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 1 1
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0018 1 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0018 1 0.5
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 1 0.5
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0018 1 1
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0018 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 1 1
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 1 0.5
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 1 1
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0018 1 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0018 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibitory activity against human lysophosphatidic acid acyltransferase-alpha (LPAAT-alpha) expressed in Sf9 insect cell membranes at <20 uM; Not active ChEMBL. 15006381
Activity (binding) 0 Inhibitory activity against human lysophosphatidic acid acyltransferase-alpha (LPAAT-alpha) expressed in Sf9 insect cell membranes at <20 uM; Not active ChEMBL. 15006381
IC50 (binding) = 1 uM Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes ChEMBL. 15006381
IC50 (binding) = 1 uM Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes ChEMBL. 15006381

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.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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