Detailed information for compound 1470237

Basic information

Technical information
  • TDR Targets ID: 1470237
  • Name: 1-[(4-oxospiro[1,6-dihydrobenzo[h]quinazoline -5,1'-cyclohexane]-2-yl)amino]-3-(phenylmethy l)thiourea
  • MW: 445.58 | Formula: C25H27N5OS
  • H donors: 3 H acceptors: 3 LogP: 6.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=NNc1nc(O)c2c(n1)c1ccccc1CC12CCCCC1)NCc1ccccc1
  • InChi: 1S/C25H27N5OS/c31-22-20-21(19-12-6-5-11-18(19)15-25(20)13-7-2-8-14-25)27-23(28-22)29-30-24(32)26-16-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H2,26,30,32)(H2,27,28,29,31)
  • InChiKey: JTJSAVQXRJLEKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-oxo-2-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]yl)amino]-3-(phenylmethyl)thiourea
  • 3-(benzyl)-1-[(4-ketospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl)amino]thiourea
  • STOCK2S-50960
  • ZINC01295600

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 brucei transcription factor BTF3, putative 0.0042 0.0101 0.1765
Echinococcus granulosus transcription factor btf3 0.0042 0.0101 0.0101
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.656 0.656
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0054 0.0139
Brugia malayi beta-lactamase 0.0038 0.0054 0.0199
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0101 0.1765
Leishmania major basic transcription factor 3a, putative 0.0042 0.0101 0.1765
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.057 0.057
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.057 0.2097
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.057 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0625 0.23
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.057 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0068 0.0425 0.1093
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2034 0.2034
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 0.1941
Schistosoma mansoni hypothetical protein 0.0205 0.2133 0.2133
Onchocerca volvulus 0.0038 0.0054 0.0171
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0054 0.0171
Loa Loa (eye worm) hypothetical protein 0.0094 0.0754 0.2775
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.057 0.057
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0038 0.0054 0.0171
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.057 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0754 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2034 0.7486
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0087 0.0321
Echinococcus multilocularis geminin 0.0205 0.2133 0.2133
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0116 0.0116
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0142 0.1348 0.347
Schistosoma mansoni hypothetical protein 0.0043 0.0116 0.0116
Loa Loa (eye worm) beta-lactamase 0.0038 0.0054 0.0199
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0207 0.0657
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0119 0.0376
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0023 0.0309
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.006 0.0326 0.1198
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0068 0.0425 0.1093
Mycobacterium tuberculosis Conserved protein 0.0038 0.0054 0.0139
Entamoeba histolytica hypothetical protein 0.0043 0.0116 0.2034
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0101 0.0259
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0023 0.0023
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0119 0.0376
Entamoeba histolytica hypothetical protein 0.0043 0.0116 0.2034
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 0.1941
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.3884 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.057 0.057
Mycobacterium ulcerans beta-lactamase 0.0038 0.0054 0.0139
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.656 0.656
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0054 0.0054
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0116 0.0116
Entamoeba histolytica hypothetical protein 0.0043 0.0116 0.2034
Schistosoma mansoni transcription factor btf3 0.0042 0.0101 0.0101
Treponema pallidum hypothetical protein 0.0345 0.3884 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0119 0.0376
Brugia malayi Pre-SET motif family protein 0.0251 0.2717 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0054 0.0139
Echinococcus granulosus neuropeptide s receptor 0.0558 0.656 0.656
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0754 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0162 0.0598
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0054 0.0171
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.057 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0119 0.0376
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.057 0.2097
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0054 0.0139
Loa Loa (eye worm) hypothetical protein 0.0047 0.0162 0.0598
Onchocerca volvulus 0.0114 0.0996 0.3161
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0054 0.0947
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2034 0.7486
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0162 0.0515
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0754 0.0754
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.656 0.656
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 0.1941
Schistosoma mansoni hypothetical protein 0.0205 0.2133 0.2133
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0162 0.0515
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0054 0.0139
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0101 0.0319
Schistosoma mansoni chromobox protein 0.0084 0.0625 0.0625
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0326 0.1198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0023 0.0023
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0101 0.0259
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.3884 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1691 0.1691
Echinococcus granulosus geminin 0.0205 0.2133 0.2133
Leishmania major hypothetical protein, conserved 0.0038 0.0054 0.0947
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0054 0.0139
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0054 0.0054
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0625 0.23
Brugia malayi beta-lactamase family protein 0.0038 0.0054 0.0199
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2034 0.2034
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0119 0.0376
Plasmodium vivax SET domain protein, putative 0.0036 0.0023 0.006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0023 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0023 0.0023
Echinococcus multilocularis transcription factor btf3 0.0042 0.0101 0.0101
Entamoeba histolytica hypothetical protein 0.0043 0.0116 0.2034
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0054 0.0171
Schistosoma mansoni alpha glucosidase 0.0044 0.0119 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0196 0.0196
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0054 0.0139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Onchocerca volvulus 0.0286 0.3152 1
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0101 0.037
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0054 0.0139
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0754 0.1941
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0119 0.0376
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0116 0.0116
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0023 0.0023
Trichomonas vaginalis esterase, putative 0.0038 0.0054 0.0171
Trypanosoma brucei glucosidase, putative 0.0044 0.0119 0.208
Brugia malayi beta-NAC-like protein 0.0042 0.0101 0.037
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.3884 1
Brugia malayi hypothetical protein 0.0043 0.0116 0.0426
Onchocerca volvulus 0.0038 0.0054 0.0171
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0054 0.0947
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0119 0.0119
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0054 0.0139
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0754 0.1941
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0101 0.1765
Onchocerca volvulus 0.005 0.0196 0.0621
Echinococcus multilocularis chromobox protein 1 0.0084 0.0625 0.0625
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0054 0.0054
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0054 0.0139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0326 0.1198
Schistosoma mansoni alpha-glucosidase 0.0169 0.1691 0.1691
Mycobacterium tuberculosis Conserved protein 0.0038 0.0054 0.0139
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0119 0.208
Toxoplasma gondii ABC1 family protein 0.0038 0.0054 0.0715
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0034 0 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0054 0.0199
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0347 0.0893
Mycobacterium tuberculosis Conserved protein 0.0038 0.0054 0.0139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0034 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0054 0.0171
Echinococcus granulosus chromobox protein 1 0.0084 0.0625 0.0625
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0754 0.1941
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0119 0.0436
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2034 0.2034
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3152 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0119 0.0376
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0101 0.0319
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0119 0.208
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0023 0.0023
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0207 0.0657
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0054 0.0947
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0119 0.208
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.3884 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0162 0.0515
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.057 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0625 0.0625
Mycobacterium ulcerans hypothetical protein 0.0038 0.0054 0.0139
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0054 0.0171
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0347 0.0347
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0101 0.1333
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2717 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0625 0.1983
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0119 0.1572
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0119 0.208
Loa Loa (eye worm) hypothetical protein 0.0037 0.0035 0.0128
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0142 0.1348 0.347
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0007 0.0007
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0199
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0054 0.0139
Brugia malayi Probable ClpP-like protease 0.0094 0.0754 0.2775
Mycobacterium ulcerans lipoprotein LpqF 0.0068 0.0425 0.1093
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0101 0.1765
Entamoeba histolytica hypothetical protein 0.0042 0.0101 0.1765
Loa Loa (eye worm) hypothetical protein 0.0041 0.0087 0.0321
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0119 0.208
Mycobacterium ulcerans lipase LipD 0.0038 0.0054 0.0139
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0347 0.0893
Onchocerca volvulus 0.0037 0.0035 0.0111
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0347 0.0893
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0754 0.0754
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0087
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0119 0.0376
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0326 0.1198
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0054 0.0054
Echinococcus granulosus transcription factor Dp 1 0.0046 0.015 0.015
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0054 0.0139
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0023 0.0023
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0119 0.0376
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.265 0.6822
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.3884 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0119 0.0436
Mycobacterium leprae Probable lipase LipE 0.0038 0.0054 0.0139
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0054 0.0199
Schistosoma mansoni chromobox protein 0.0084 0.0625 0.0625
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0207 0.0657
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0754 0.0754
Brugia malayi beta-lactamase family protein 0.0038 0.0054 0.0199
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0119 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0101 0.0319
Brugia malayi Pre-SET motif family protein 0.0036 0.0023 0.0086
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0625 0.1983
Trypanosoma brucei beta lactamase 0.0068 0.0425 0.7451
Echinococcus multilocularis chromobox protein 1 0.0084 0.0625 0.0625
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0034 0 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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