Detailed information for compound 46336

Basic information

Technical information
  • TDR Targets ID: 46336
  • Name: methyl N-[4-chloro-3-(5-chloro-1,3-benzothiaz ol-2-yl)phenyl]carbamate
  • MW: 353.223 | Formula: C15H10Cl2N2O2S
  • H donors: 1 H acceptors: 2 LogP: 4.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Nc1ccc(c(c1)c1nc2c(s1)ccc(c2)Cl)Cl
  • InChi: 1S/C15H10Cl2N2O2S/c1-21-15(20)18-9-3-4-11(17)10(7-9)14-19-12-6-8(16)2-5-13(12)22-14/h2-7H,1H3,(H,18,20)
  • InChiKey: SLVYTUDZKSJSLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-chloro-3-(5-chloro-1,3-benzothiazol-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
Schistosoma mansoni transcription factor 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
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 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
Echinococcus granulosus Phospholipid glycerol acyltransferase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126904 All targets in OG5_126904
Theileria parva hypothetical protein 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
Toxoplasma gondii acyltransferase domain-containing protein 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 braziliensis 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, 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
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase Get druggable targets OG5_126904 All targets in OG5_126904
Trypanosoma congolense 1-acyl-sn-glycerol-3-phosphate acyltransferase, 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
Leishmania infantum 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 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
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 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 homeobox Get druggable targets OG5_126904 All targets in OG5_126904
Neospora caninum hypothetical protein 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
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
Loa Loa (eye worm) hypothetical protein 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
Leishmania donovani 1-acyl-sn-glycerol-3-phosphateacyltransferase-l ik eprotein, putative 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
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative Get druggable targets OG5_126904 All targets in OG5_126904
Echinococcus granulosus Msx-like 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
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 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
Brugia malayi Acyltransferase family 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
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 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
Trypanosoma brucei gambiense 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 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
Loa Loa (eye worm) hypothetical protein 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
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
Loa Loa (eye worm) acyltransferase 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
Treponema pallidum lysophosphatidic acid acyltransferase 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
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-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
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
Schistosoma mansoni acetylcholinesterase 0.0156 0.0675 0.1224
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0385 0.1962 0.3853
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Onchocerca volvulus 0.0156 0.0675 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1817 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0156 0.0675 0.1224
Loa Loa (eye worm) hypothetical protein 0.042 0.216 0.4257
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0128 0.052 1
Mycobacterium ulcerans oxidoreductase 0.0128 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Mycobacterium ulcerans monoamine oxidase 0.0128 0.052 0.052
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0128 0.052 0.0908
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) carboxylesterase 0.0156 0.0675 0.1224
Loa Loa (eye worm) acetylcholinesterase 1 0.0921 0.497 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Brugia malayi Carboxylesterase family protein 0.0156 0.0675 0.1224
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0434 0.2236 0.4413
Brugia malayi Carboxylesterase family protein 0.0921 0.497 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0128 0.052 0.0908
Toxoplasma gondii histone lysine-specific demethylase 0.0128 0.052 1
Echinococcus multilocularis 0.0128 0.052 0.0908
Schistosoma mansoni amine oxidase 0.0128 0.052 0.0908
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus multilocularis para nitrobenzyl esterase 0.0156 0.0675 0.1224
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Brugia malayi Carboxylesterase family protein 0.0156 0.0675 0.1224
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0434 0.2236 0.4413
Schistosoma mansoni BC026374 protein (S09 family) 0.0156 0.0675 0.1224
Trypanosoma cruzi UDP-galactopyranose mutase 0.0128 0.052 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus multilocularis acetylcholinesterase 0.0921 0.497 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Echinococcus granulosus para nitrobenzyl esterase 0.0156 0.0675 0.1224
Echinococcus granulosus neuroligin 0.0156 0.0675 0.1224
Echinococcus multilocularis carboxylesterase 5A 0.0921 0.497 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0156 0.0675 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0128 0.052 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Loa Loa (eye worm) hypothetical protein 0.0921 0.497 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0156 0.0675 0.1224
Onchocerca volvulus 0.0156 0.0675 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0128 0.052 0.0561
Echinococcus granulosus lysine specific histone demethylase 1A 0.0128 0.052 0.0908
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0921 0.497 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Mycobacterium tuberculosis Possible oxidoreductase 0.0128 0.052 0.0561
Brugia malayi hypothetical protein 0.0128 0.052 0.0908
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0156 0.0675 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0049 0.0076 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0049 0.0076 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0128 0.052 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0049 0.0076 0.1129
Plasmodium vivax hypothetical protein, conserved 0.0128 0.052 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0128 0.052 0.052
Plasmodium vivax hypothetical protein, conserved 0.0128 0.052 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0076 0.1129
Onchocerca volvulus 0.0156 0.0675 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Trypanosoma cruzi UDP-galactopyranose mutase 0.0128 0.052 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus granulosus lysine specific histone demethylase 1A 0.0128 0.052 0.0908
Echinococcus multilocularis BC026374 protein (S09 family) 0.0156 0.0675 0.1224
Echinococcus multilocularis neuroligin 0.0156 0.0675 0.1224
Mycobacterium tuberculosis Carboxylesterase LipT 0.0156 0.0675 0.0728
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Plasmodium falciparum protoporphyrinogen oxidase 0.0128 0.052 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0128 0.052 0.0908
Brugia malayi amine oxidase, flavin-containing family protein 0.0128 0.052 0.0908
Mycobacterium ulcerans dehydrogenase 0.0128 0.052 0.052
Brugia malayi Carboxylesterase family protein 0.0156 0.0675 0.1224
Brugia malayi SWIRM domain containing protein 0.0128 0.052 0.0908
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0128 0.052 1
Echinococcus granulosus carboxylesterase 5A 0.0921 0.497 1
Brugia malayi Carboxylesterase family protein 0.0156 0.0675 0.1224
Loa Loa (eye worm) hypothetical protein 0.0921 0.497 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0675 0.1224
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus granulosus acetylcholinesterase 0.0921 0.497 1
Leishmania major UDP-galactopyranose mutase 0.0128 0.052 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0156 0.0675 0.0728
Loa Loa (eye worm) carboxylesterase 0.0156 0.0675 0.1224
Mycobacterium ulcerans carboxylesterase, LipT 0.0156 0.0675 0.0675
Brugia malayi hypothetical protein 0.0156 0.0675 0.1224
Onchocerca volvulus 0.0156 0.0675 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Schistosoma mansoni amine oxidase 0.0128 0.052 0.0908
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus granulosus BC026374 protein S09 family 0.0156 0.0675 0.1224
Loa Loa (eye worm) carboxylesterase 0.0921 0.497 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0128 0.052 0.0908
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0156 0.0675 0.1224
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0156 0.0675 0.1224
Echinococcus multilocularis acetylcholinesterase 0.0921 0.497 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Schistosoma mansoni gliotactin 0.0156 0.0675 0.1224
Brugia malayi Carboxylesterase family protein 0.0921 0.497 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0156 0.0675 0.1224
Schistosoma mansoni neuroligin 3 (S09 family) 0.0156 0.0675 0.1224
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1689 0.9282 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0156 0.0675 0.0728
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0128 0.052 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.052 0.0908
Onchocerca volvulus 0.0156 0.0675 1
Echinococcus granulosus acetylcholinesterase 0.0921 0.497 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0049 0.0076 0.1129
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0434 0.2236 0.4413
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0128 0.052 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0128 0.052 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) = 0.04 uM Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes ChEMBL. 15006381
IC50 (binding) = 0.04 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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