Detailed information for compound 1464411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.482 | Formula: C23H20N2O2S
  • H donors: 0 H acceptors: 1 LogP: 5.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1c(nc2c(c1=O)c1CCCCc1s2)c1ccccc1
  • InChi: 1S/C23H20N2O2S/c1-27-17-11-7-10-16(14-17)25-21(15-8-3-2-4-9-15)24-22-20(23(25)26)18-12-5-6-13-19(18)28-22/h2-4,7-11,14H,5-6,12-13H2,1H3
  • InChiKey: FZIRKWGQFRVFNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi serine sulfhydrylase 0.0152 0.3993 1
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0152 0.3993 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.101 0.2519
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0152 0.3993 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0127 0.3212 0.781
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.101 0.2519
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1164 0.1164
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1164 0.1164
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1084 0.1084
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.4983 0.7583
Trypanosoma cruzi serine sulfhydrylase 0.0152 0.3993 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0345 1 1
Leishmania major cystathionine beta-synthase 0.0152 0.3993 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0146 0.0354
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0113 0.0113
Trypanosoma cruzi serine-threonine dehydratase, putative 0.0038 0.0427 0.1057
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0152 0.3993 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1084 0.1443
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.5561 0.5561
Brugia malayi Pre-SET motif family protein 0.0029 0.0146 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1164 0.1164
Leishmania major hypothetical protein, conserved 0.0057 0.101 0.2519
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0146 0.0146
Chlamydia trachomatis tryptophan synthase subunit beta 0.0038 0.0427 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0787 0.1961
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0787 0.1961
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1084 0.2705
Loa Loa (eye worm) cbs-prov protein 0.0152 0.3993 0.3993
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0787 0.06
Trypanosoma cruzi cysteine synthase, putative 0.0152 0.3993 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1084 0.1443
Brugia malayi TAR-binding protein 0.0062 0.1164 0.1164
Trypanosoma brucei threonine synthase, putative 0.0038 0.0427 0.1057
Echinococcus granulosus l serine dehydratase:l threonine deaminase 0.0038 0.0427 0.0427
Entamoeba histolytica cysteine synthase A, putative 0.0152 0.3993 0.7828
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Mycobacterium tuberculosis Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) 0.0152 0.3993 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0787 0.06
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1164 0.1164
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0146 0.0146
Onchocerca volvulus 0.0184 0.4983 0.7744
Brugia malayi Pre-SET motif family protein 0.0203 0.5561 0.5561
Trypanosoma cruzi cysteine synthase, putative 0.0152 0.3993 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1084 0.1084
Leishmania major cysteine synthase 0.0152 0.3993 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0146 0.0146
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0345 1 1
Trypanosoma cruzi serine-threonine dehydratase, putative 0.0038 0.0427 0.1057
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.4983 0.7583
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.101 0.2519
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0146 0.0146
Mycobacterium ulcerans cysteine synthase B 0.0152 0.3993 0.7828
Trypanosoma cruzi cystathionine beta-synthase, putative 0.0152 0.3993 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0146 0.0146
Brugia malayi RNA binding protein 0.0062 0.1164 0.1164
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1084 0.1084
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0184 0.4983 0.4983
Echinococcus multilocularis geminin 0.0165 0.4386 0.4386
Trichomonas vaginalis threonine synthase, putative 0.0152 0.3993 0.5936
Trypanosoma brucei protein kinase, putative 0.005 0.0787 0.1961
Mycobacterium ulcerans cystathionine beta-synthase 0.0152 0.3993 0.7828
Loa Loa (eye worm) hypothetical protein 0.0029 0.0146 0.0146
Mycobacterium tuberculosis Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B) 0.0152 0.3993 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0005 0.0005
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.4983 0.7583
Trypanosoma cruzi threonine synthase, putative 0.0038 0.0427 0.1057
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0787 0.0787
Schistosoma mansoni hypothetical protein 0.0165 0.4386 0.4386
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0787 0.06
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1164 0.1164
Loa Loa (eye worm) RNA binding protein 0.0062 0.1164 0.1164
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0184 0.4983 0.4983
Onchocerca volvulus Huntingtin homolog 0.0119 0.2961 0.4601
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0152 0.3993 1
Trypanosoma cruzi cystathionine beta-synthase 0.0152 0.3993 1
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.101 0.0971
Loa Loa (eye worm) hypothetical protein 0.0119 0.2961 0.2961
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1084 0.1443
Toxoplasma gondii CBS family protein 0.0152 0.3993 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0787 0.1961
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0787 0.0787
Onchocerca volvulus 0.0029 0.0146 0.0227
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0787 0.1961
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Brugia malayi hypothetical protein 0.0119 0.2961 0.2961
Trypanosoma cruzi cystathionine beta-synthase 0.0152 0.3993 1
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein 0.0038 0.0427 0.0427
Trypanosoma cruzi threonine synthase, putative 0.0038 0.0427 0.1057
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein 0.0038 0.0427 0.0427
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.4983 1
Trypanosoma cruzi serine-threonine dehydratase, putative 0.0038 0.0427 0.1057
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0005 0.5
Mycobacterium leprae PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A) 0.0152 0.3993 1
Entamoeba histolytica cysteine synthase A, putative 0.0152 0.3993 0.7828
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0787 0.0792
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0787 0.0787
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0787 0.1961
Toxoplasma gondii O-acetylserine (thiol) lyase 2, putative 0.0038 0.0427 0.1057
Leishmania major serine-threonine dehydratase, putative 0.0038 0.0427 0.1057
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0787 0.0787
Mycobacterium ulcerans cysteine synthase a CysK1 0.0152 0.3993 0.7828
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0787 0.1961
Brugia malayi cbs-prov protein 0.0152 0.3993 0.3993
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0184 0.4983 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0345 1 1
Brugia malayi MAP kinase sur-1 0.005 0.0787 0.0787
Onchocerca volvulus Serine racemase homolog 0.0038 0.0427 0.0663
Entamoeba histolytica cysteine synthase A, putative 0.0152 0.3993 0.7828
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0184 0.4983 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0787 0.0787
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1164 0.1164
Echinococcus granulosus geminin 0.0165 0.4386 0.4386
Schistosoma mansoni hypothetical protein 0.0165 0.4386 0.4386
Brugia malayi hypothetical protein 0.0025 0.0005 0.0005
Trypanosoma brucei cystathionine beta-synthase, putative 0.0152 0.3993 1
Trypanosoma cruzi serine sulfhydrylase 0.0152 0.3993 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1164 0.1164
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1084 0.1843
Trichomonas vaginalis set domain proteins, putative 0.0231 0.6434 1
Loa Loa (eye worm) pyridoxal-phosphate dependent enzyme family protein 0.0038 0.0427 0.0427
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.4983 0.7583
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0146 0.0146
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.101 0.0971
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0787 0.0787
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1084 0.2705
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0146 0.0146
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1164 0.1164
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0787 0.1961
Onchocerca volvulus 0.0231 0.6434 1
Toxoplasma gondii pyridoxal-phosphate dependent superfamily protein 0.0152 0.3993 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.4983 1
Onchocerca volvulus 0.0038 0.0427 0.0663
Schistosoma mansoni cysteine synthase 0.0152 0.3993 0.3993
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.4983 0.7583
Trichomonas vaginalis cysteine synthase, putative 0.0152 0.3993 0.5936
Leishmania major threonine synthase, putative 0.0038 0.0427 0.1057
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0787 0.06
Echinococcus multilocularis l serine dehydratase:l threonine deaminase 0.0038 0.0427 0.0427
Plasmodium vivax SET domain protein, putative 0.0029 0.0146 1
Schistosoma mansoni cysteine synthase 0.0152 0.3993 0.3993
Echinococcus granulosus tar DNA binding protein 0.0062 0.1164 0.1164
Trypanosoma cruzi cystathionine beta-synthase 0.0152 0.3993 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1164 0.1164
Trypanosoma cruzi serine sulfhydrylase 0.0152 0.3993 1
Schistosoma mansoni threonine dehydratase 0.0038 0.0427 0.0427
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.4983 0.7583
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein 0.0152 0.3993 0.3993
Loa Loa (eye worm) hypothetical protein 0.0119 0.2961 0.2961
Schistosoma mansoni threonine dehydratase/deaminase 0.0038 0.0427 0.0427
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0345 1 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.2961 0.4601
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0005 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1084 0.1084
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0787 0.1961
Trichomonas vaginalis threonine synthase, putative 0.0152 0.3993 0.5936

Activities

Activity type Activity value Assay description Source Reference
Ratio (functional) = 5 Antianxiety activity in ip dosed Albino mouse assessed as increase in locomotor activity after 30 mins relative to Diazepam ChEMBL. 20950897

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.