Detailed information for compound 1707384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.397 | Formula: C18H17NO3S
  • H donors: 1 H acceptors: 2 LogP: 3.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(c1scc(n1)c1ccccc1OC)O
  • InChi: 1S/C18H17NO3S/c1-21-13-7-5-6-12(10-13)17(20)18-19-15(11-23-18)14-8-3-4-9-16(14)22-2/h3-11,17,20H,1-2H3
  • InChiKey: SAUPUKWIGROFOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0192 0.0192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0141 0.155
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0192 0.1028
Mycobacterium tuberculosis Conserved protein 0.0036 0.0192 0.0192
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.04 0.1067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.3021
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0583 0.3117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.04 0.04
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.0615 0.0615
Mycobacterium ulcerans hypothetical protein 0.0036 0.0192 0.0192
Loa Loa (eye worm) glutathione reductase 0.0038 0.0208 0.1057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0208 0.0208
Plasmodium falciparum glutathione reductase 0.0038 0.0208 0.0208
Schistosoma mansoni lamin 0.0027 0.0116 0.1283
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0141 0.0141
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0192 0.0192
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0192 0.0192
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0903 0.4832
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.1869 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.021 0.1126
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0116 0.0566
Mycobacterium tuberculosis Conserved protein 0.0036 0.0192 0.0192
Brugia malayi hypothetical protein 0.0122 0.0919 0.4917
Schistosoma mansoni hypothetical protein 0.0038 0.021 0.232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0274 0.1467
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0903 0.4801
Schistosoma mansoni hypothetical protein 0.0038 0.021 0.232
Leishmania major polypeptide deformylase-like protein, putative 0.0458 0.3748 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0274 0.1467
Onchocerca volvulus 0.0036 0.0192 0.0431
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0023 0.0121
Mycobacterium ulcerans lipase LipD 0.0036 0.0192 0.0192
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0192 0.0513
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1638 0.8757
Mycobacterium ulcerans peptide deformylase 0.1201 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0192 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.0903 0.4801
Loa Loa (eye worm) hypothetical protein 0.0122 0.0919 0.4886
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0458 0.3748 1
Echinococcus multilocularis musashi 0.0027 0.0116 0.0623
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0023 0.0023
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0023 0.006
Loa Loa (eye worm) hypothetical protein 0.0235 0.1869 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0192 0.1023
Trypanosoma brucei trypanothione reductase 0.0038 0.0208 0.0554
Schistosoma mansoni hypothetical protein 0.0082 0.0583 0.6419
Trichomonas vaginalis set domain proteins, putative 0.0236 0.188 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0192 0.2117
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.04 0.04
Entamoeba histolytica hypothetical protein 0.0036 0.0192 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0023 0.0023
Brugia malayi Thioredoxin reductase 0.0038 0.0208 0.1111
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0192 0.1023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.3021
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0192 0.1023
Onchocerca volvulus 0.0036 0.0192 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.021 0.1073
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.021 0.1126
Plasmodium vivax peptide deformylase, putative 0.1201 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0192 0.0513
Echinococcus granulosus intermediate filament protein 0.0027 0.0116 0.0623
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0274 0.1467
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.0615 0.0615
Toxoplasma gondii hypothetical protein 0.1201 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0192 0.0192
Trypanosoma cruzi Peptide deformylase 2, putative 0.0458 0.3748 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0903 0.4832
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0023 0.0023
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.0696 0.0696
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.0116 0.1283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0192 0.2119
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0274 0.1467
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Leishmania major trypanothione reductase 0.0038 0.0208 0.0554
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.021 0.1073
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.04 0.214
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0023 0.0249
Brugia malayi hypothetical protein 0.0036 0.0192 0.1028
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.04 0.4407
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0212 0.1134
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0023 0.0121
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0141 0.155
Echinococcus granulosus GPCR family 2 0.0038 0.021 0.1126
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0192 0.2119
Leishmania major hypothetical protein, conserved 0.0036 0.0192 0.0513
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.0696 0.0696
Loa Loa (eye worm) hypothetical protein 0.003 0.0141 0.0697
Entamoeba histolytica hypothetical protein 0.0036 0.0192 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0192 0.1029
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.0696 0.0513
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0274 0.1415
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0141 0.0752
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0112 0.0544
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0023 0.0121
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Onchocerca volvulus Huntingtin homolog 0.0122 0.0919 0.4552
Schistosoma mansoni hypothetical protein 0.0038 0.021 0.232
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.04 0.04
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Treponema pallidum polypeptide deformylase (def) 0.1201 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0458 0.3748 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.04 0.04
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0208 0.0554
Plasmodium vivax SET domain protein, putative 0.003 0.0141 0.0141
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0208 0.0208
Echinococcus granulosus lamin dm0 0.0027 0.0116 0.0623
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.0082 0.0583 0.3075
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0458 0.3748 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1201 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.1822 0.1822
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0141 0.0752
Schistosoma mansoni survival motor neuron protein 0.0048 0.0294 0.3235
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0192 0.0192
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.021 0.1126
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0192 0.0192
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0192 0.0513
Brugia malayi Pre-SET motif family protein 0.003 0.0141 0.0752
Onchocerca volvulus 0.0048 0.0294 0.1005
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0079 0.0366
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0192 0.1029
Mycobacterium ulcerans beta-lactamase 0.0036 0.0192 0.0192
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0023 0.0121
Loa Loa (eye worm) hypothetical protein 0.0122 0.0919 0.4886
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1201 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0131 0.0703
Brugia malayi beta-lactamase family protein 0.0036 0.0192 0.1029
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Trypanosoma brucei Polypeptide deformylase 1 0.0458 0.3748 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0116 0.0623
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.021 0.1126
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0192 0.0192
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.0615 0.0615
Mycobacterium tuberculosis Probable reductase 0.0086 0.0615 0.0615
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0212 0.1134
Onchocerca volvulus 0.0236 0.188 1
Brugia malayi hypothetical protein 0.0235 0.1869 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0192 0.1023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0192 0.1028
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1201 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0023 0.006
Brugia malayi glutathione reductase 0.0038 0.0208 0.1111
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0192 0.0192
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.04 0.4407
Onchocerca volvulus 0.0036 0.0192 0.0431
Loa Loa (eye worm) hypothetical protein 0.0027 0.0116 0.0566
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.04 0.04
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0023 0.0061
Toxoplasma gondii thioredoxin reductase 0.0038 0.0208 0.0208
Toxoplasma gondii ABC1 family protein 0.0036 0.0192 0.0192
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0208 0.1057
Loa Loa (eye worm) beta-lactamase 0.0036 0.0192 0.0975
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0192 0.1029
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.04 0.214
Schistosoma mansoni hypothetical protein 0.0036 0.0192 0.2117
Trypanosoma brucei Peptide deformylase 2 0.0458 0.3748 1
Onchocerca volvulus 0.003 0.0141 0.0137
Echinococcus multilocularis lamin dm0 0.0027 0.0116 0.0623
Entamoeba histolytica hypothetical protein 0.0036 0.0192 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0274 0.1467
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0023 0.0121
Loa Loa (eye worm) hypothetical protein 0.0036 0.0192 0.0975
Plasmodium falciparum thioredoxin reductase 0.0038 0.0208 0.0208
Brugia malayi beta-lactamase family protein 0.0036 0.0192 0.1029
Schistosoma mansoni hypothetical protein 0.0048 0.0294 0.3235
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.021 0.1126
Schistosoma mansoni lamin 0.0027 0.0116 0.1283
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0294 0.1571
Brugia malayi intermediate filament protein 0.0027 0.0116 0.0623
Plasmodium falciparum peptide deformylase 0.1201 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.0696 0.0696
Brugia malayi beta-lactamase 0.0036 0.0192 0.1029
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0023 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0141 0.155
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0023 0.006
Brugia malayi Cytochrome P450 family protein 0.0022 0.0079 0.0424
Plasmodium vivax glutathione reductase, putative 0.0038 0.0208 0.0208
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0192 0.1023
Brugia malayi isocitrate dehydrogenase 0.0016 0.0023 0.0121
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0023 0.0121
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.0615 0.0615
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0023 0.006
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0023 0.0121
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0141 0.0752
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0023 0.006
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.0615 0.0431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.3021
Echinococcus granulosus lamin 0.0027 0.0116 0.0623
Echinococcus multilocularis lamin 0.0027 0.0116 0.0623
Schistosoma mansoni hypothetical protein 0.0038 0.021 0.232
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0192 0.0192
Brugia malayi Pre-SET motif family protein 0.0208 0.1638 0.8765
Trichomonas vaginalis esterase, putative 0.0036 0.0192 0.1023
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0192 0.0975
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0011 0.006
Onchocerca volvulus Huntingtin homolog 0.0122 0.0919 0.4552
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.021 0.1126
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0141 0.155
Mycobacterium tuberculosis Conserved protein 0.0036 0.0192 0.0192
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.1869 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.021 0.1126
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0116 0.0566

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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