Detailed information for compound 254260

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.819 | Formula: C16H14ClN3O2S
  • H donors: 2 H acceptors: 2 LogP: 4.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1ccc(c(c1)Cl)O)/CSc1nc2c([nH]1)cccc2
  • InChi: 1S/C16H14ClN3O2S/c1-22-20-14(10-6-7-15(21)11(17)8-10)9-23-16-18-12-4-2-3-5-13(12)19-16/h2-8,21H,9H2,1H3,(H,18,19)/b20-14-
  • InChiKey: MGYAIDYGOICAEV-ZHZULCJRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis cpg binding protein 0.0023 0.0648 0.0636
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0074 0.0074
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Onchocerca volvulus 0.0032 0.0966 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Onchocerca volvulus 0.0032 0.0966 1
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0966 0.2619
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0032 0.0966 0.1421
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0003 0.0013 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0059 0.0127
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0966 0.2619
Schistosoma mansoni cpg binding protein 0.0023 0.0648 0.0648
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0966 0.0966
Echinococcus multilocularis ornithine aminotransferase 0.0016 0.0432 0.042
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Entamoeba histolytica short chain dehydrogenase family protein 0.0003 0.0013 0.5
Mycobacterium tuberculosis Conserved protein 0.0032 0.0966 0.1421
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0003 0.0013 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Echinococcus granulosus ornithine aminotransferase 0.0016 0.0432 0.042
Echinococcus granulosus cpg binding protein 0.0023 0.0648 0.0636
Mycobacterium ulcerans esterase/lipase LipP 0.0032 0.0966 0.2619
Mycobacterium ulcerans beta-lactamase 0.0032 0.0966 0.2619
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0966 0.2619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Echinococcus granulosus Aminotransferase class III 0.0016 0.0432 0.042
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0016 0.0432 0.1152
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0113 0.3653 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0003 0.0013 0.0013
Toxoplasma gondii histone lysine methyltransferase SET1 0.004 0.1242 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0032 0.0966 0.1421
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0126 0.4083 0.4083
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0016 0.0432 0.1152
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0003 0.0013 0.0013
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0003 0.0013 0.5
Schistosoma mansoni carbonyl reductase 0.0003 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0016 0.0432 0.1152
Mycobacterium tuberculosis Probable aminotransferase 0.0113 0.3653 0.5427
Plasmodium falciparum ornithine aminotransferase 0.0016 0.0432 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0966 1
Giardia lamblia Hypothetical protein 0.0003 0.0013 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0016 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0005 0.0074 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Onchocerca volvulus 0.0032 0.0966 1
Schistosoma mansoni retinal dehydrogenase 0.0003 0.0013 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0118 0.0105
Mycobacterium tuberculosis Probable esterase LipL 0.0032 0.0966 0.1421
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0966 0.0954
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0966 0.2619
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0016 0.0432 0.0625
Mycobacterium tuberculosis Conserved protein 0.0032 0.0966 0.1421
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0966 1
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0966 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0032 0.0966 0.2619
Schistosoma mansoni carbonyl reductase 0.0003 0.0013 0.0013
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0016 0.0432 0.1152
Mycobacterium ulcerans acetylornithine aminotransferase 0.0016 0.0432 0.1152
Schistosoma mansoni cpg binding protein 0.0021 0.0608 0.0608
Mycobacterium ulcerans hypothetical protein 0.0032 0.0966 0.2619
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0016 0.0432 0.1152
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Trichomonas vaginalis esterase, putative 0.0032 0.0966 0.2619
Loa Loa (eye worm) histone methyltransferase 0.0007 0.0118 0.1101
Mycobacterium tuberculosis Probable hydrolase 0.0032 0.0966 0.1421
Plasmodium vivax ornithine aminotransferase, putative 0.0016 0.0432 0.4398
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0059 0.0127
Entamoeba histolytica hypothetical protein, conserved 0.0003 0.0013 0.5
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0003 0.0013 0.5
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0016 0.0432 0.0625
Mycobacterium tuberculosis Conserved protein 0.0032 0.0966 0.1421
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0016 0.0432 0.0625
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0016 0.0432 0.341
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0016 0.0432 0.4398
Echinococcus multilocularis dnaJ subfamily B 0.0303 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0021 0.0608 0.624
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Brugia malayi beta-lactamase 0.0032 0.0966 1
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0205 0.6719 1
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni cpg binding protein 0.0023 0.0648 0.0648
Schistosoma mansoni hypothetical protein 0.0126 0.4083 0.4083
Mycobacterium ulcerans hypothetical protein 0.0113 0.3653 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0059 0.0127
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0005 0.0074 0.0062
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0045 0.1403 0.1403
Onchocerca volvulus 0.0021 0.0608 0.624
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0003 0.0013 0.5
Mycobacterium ulcerans L-lysine aminotransferase 0.0016 0.0432 0.1152
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0966 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0005 0.0074 0.0062
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0032 0.0966 0.1421
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0016 0.0432 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0966 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0113 0.3653 0.5427
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0966 0.0966
Echinococcus multilocularis Aminotransferase class III 0.0016 0.0432 0.042
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0032 0.0966 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0003 0.0013 0.5
Echinococcus multilocularis geminin 0.0126 0.4083 0.4076
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0003 0.0013 0.0013
Entamoeba histolytica hypothetical protein 0.0003 0.0013 0.5
Schistosoma mansoni short chain dehydrogenase 0.0003 0.0013 0.0013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0118 0.0105
Mycobacterium ulcerans lipase LipD 0.0032 0.0966 0.2619
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0016 0.0432 0.1152
Entamoeba histolytica hypothetical protein, conserved 0.0003 0.0013 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0005 0.0074 0.0062
Entamoeba histolytica short chain dehydrogenase family protein 0.0003 0.0013 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0113 0.3653 1
Leishmania major hypothetical protein, conserved 0.0032 0.0966 1
Mycobacterium tuberculosis Probable lipase LipE 0.0032 0.0966 0.1421
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Mycobacterium tuberculosis Probable lipase LipD 0.0032 0.0966 0.1421
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0966 0.2619
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0113 0.3653 1
Schistosoma mansoni carbonyl reductase 0.0003 0.0013 0.0013
Giardia lamblia Reductase, putative 0.0003 0.0013 0.5
Schistosoma mansoni steroid dehydrogenase 0.0003 0.0013 0.0013
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.0115 0.1071
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0966 1
Echinococcus granulosus geminin 0.0126 0.4083 0.4076
Toxoplasma gondii ABC1 family protein 0.0032 0.0966 0.7754
Giardia lamblia Short-chain dehydrogenase, putative 0.0003 0.0013 0.5
Brugia malayi beta-lactamase family protein 0.0032 0.0966 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0966 0.0954
Schistosoma mansoni hypothetical protein 0.0303 1 1
Brugia malayi CXXC zinc finger family protein 0.0021 0.0608 0.624
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0016 0.0432 0.0625
Brugia malayi beta-lactamase family protein 0.0032 0.0966 1
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0059 0.0127
Echinococcus multilocularis ornithine aminotransferase 0.0016 0.0432 0.042
Trichomonas vaginalis helicase, putative 0.0005 0.0059 0.0127
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0966 0.2619
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0016 0.0432 0.1152
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0016 0.0432 1
Loa Loa (eye worm) beta-lactamase 0.0032 0.0966 1
Mycobacterium leprae Probable lipase LipE 0.0032 0.0966 0.2619

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 500 uM Binding affinity towards cloned human glucagon receptor in BHK cells. ChEMBL. 9857085
Ki (binding) > 500 uM Binding affinity towards cloned human glucagon receptor in BHK cells. ChEMBL. 9857085

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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