Detailed information for compound 581693

Basic information

Technical information
  • TDR Targets ID: 581693
  • Name: 1-[[(Z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1 -ylidene)methyl]amino]-3-(3-pyridyl)thiourea
  • MW: 288.325 | Formula: C13H12N4O2S
  • H donors: 4 H acceptors: 3 LogP: 1.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1cccnc1)NN/C=C\1/C=CC(=O)C(=C1)O
  • InChi: 1S/C13H12N4O2S/c18-11-4-3-9(6-12(11)19)7-15-17-13(20)16-10-2-1-5-14-8-10/h1-8,15,19H,(H2,16,17,20)/b9-7-
  • InChiKey: ABYMEEUFIPNPOR-CLFYSBASSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(3-pyridyl)thiourea
  • 1-[[(Z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-yl-thiourea
  • 1-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(3-pyridyl)thiourea
  • 1-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
  • 3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-pyridin-3-ylthiourea
  • 3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-(3-pyridyl)thiourea
  • 3-[[(Z)-(3-hydroxy-4-keto-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-(3-pyridyl)thiourea
  • 3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1-pyridin-3-yl-thiourea
  • SMR000242539
  • MLS000417312

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0159 0.0529
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0025 0.0461
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0159 0.0321
Mycobacterium leprae Probable lipase LipE 0.004 0.0181 1
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0203 0.0567
Trypanosoma brucei DNA polymerase eta, putative 0.0063 0.0485 1
Echinococcus granulosus disintegrin and metalloproteinase 0.0134 0.141 0.3338
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0181 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0181 0.0603
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0181 1
Schistosoma mansoni zinc finger protein 0.004 0.0175 0.0369
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0109 0.0201
Loa Loa (eye worm) hypothetical protein 0.0143 0.1528 0.4263
Mycobacterium ulcerans lipase LipD 0.004 0.0181 1
Loa Loa (eye worm) metalloprotease 0.0028 0.0022 0.0062
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0108
Echinococcus granulosus fetal alzheimer antigen falz 0.0046 0.0254 0.0551
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0181 0.2808
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0952 0.2655
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Loa Loa (eye worm) reprolysin 0.0245 0.2855 0.7966
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0303
Loa Loa (eye worm) hypothetical protein 0.0086 0.0785 0.2191
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0245 0.2855 0.6825
Loa Loa (eye worm) hypothetical protein 0.0063 0.0485 0.1354
Loa Loa (eye worm) hypothetical protein 0.0083 0.0735 0.205
Trypanosoma cruzi DNA polymerase eta, putative 0.0063 0.0485 1
Leishmania major DNA polymerase kappa, putative 0.0038 0.0159 0.3272
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0245 0.2855 0.2836
Loa Loa (eye worm) hypothetical protein 0.0099 0.0952 0.2655
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0245 0.2855 0.6822
Echinococcus granulosus dna polymerase eta 0.0063 0.0485 0.1108
Loa Loa (eye worm) hypothetical protein 0.0103 0.1007 0.2809
Schistosoma mansoni hypothetical protein 0.0346 0.4172 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0159 0.3227
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0542 0.1614
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0067 0.01
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.3584 1
Brugia malayi beta-lactamase family protein 0.004 0.0181 0.0539
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0159 0.0134
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.0608 0.1404
Loa Loa (eye worm) disintegrin family protein 0.0067 0.0535 0.1492
Leishmania major DNA polymerase eta, putative 0.0063 0.0485 1
Brugia malayi ImpB/MucB/SamB family protein 0.0063 0.0485 0.1444
Mycobacterium ulcerans hypothetical protein 0.004 0.0181 1
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0108
Plasmodium falciparum importin beta, putative 0.0028 0.0025 0.5
Brugia malayi beta-lactamase 0.004 0.0181 0.0539
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0067 0.02
Brugia malayi hypothetical protein 0.0176 0.1956 0.5822
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0159 0.3227
Brugia malayi angiogenesis inhibito 0.0078 0.0673 0.2004
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0067 0.01
Mycobacterium ulcerans beta-lactamase 0.004 0.0181 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0109 0.0208
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0181 0.0382
Brugia malayi metalloprotease 0.0028 0.0022 0.0066
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0159 0.8773
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Loa Loa (eye worm) hypothetical protein 0.0078 0.0673 0.1878
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0245 0.2855 0.6825
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0159 0.0329
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0181 0.0375
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.3001 1
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0125 0.0348
Echinococcus multilocularis adam 0.0176 0.1956 0.1935
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0284 0.3359 0.3342
Brugia malayi Importin beta-1 subunit 0.0028 0.0025 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Schistosoma mansoni DNA polymerase eta 0.0063 0.0485 0.1115
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0181 0.0603
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0067 0.02
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.1305 0.3641
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0952 0.2833
Schistosoma mansoni hypothetical protein 0.0301 0.3584 0.8581
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0952 0.2833
Brugia malayi Reprolysin 0.0178 0.198 0.5894
Echinococcus granulosus zinc finger protein 0.004 0.0175 0.0361
Schistosoma mansoni bromodomain containing protein 0.0128 0.1331 0.3153
Echinococcus granulosus geminin 0.0346 0.4172 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Brugia malayi Disintegrin family protein 0.0134 0.141 0.4197
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0109 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Schistosoma mansoni hypothetical protein 0.0068 0.0542 0.1253
Trypanosoma brucei unspecified product 0.0038 0.0159 0.3227
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0181 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0109 0.0083
Echinococcus multilocularis geminin 0.0346 0.4172 0.4158
Echinococcus granulosus adam 17 protease 0.0067 0.0533 0.1223
Schistosoma mansoni hypothetical protein 0.0346 0.4172 1
Echinococcus granulosus snurportin 1 0.0301 0.3584 0.858
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0284 0.3359 0.804
Leishmania major DNA polymerase eta, putative 0.0037 0.014 0.2877
Mycobacterium tuberculosis Conserved protein 0.004 0.0181 0.0603
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0284 0.3359 0.8039
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0181 0.0505
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0159 0.0443
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0181 0.0539
Trichomonas vaginalis esterase, putative 0.004 0.0181 1
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0176 0.1956 0.4659
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0284 0.3359 0.804
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0181 0.2808
Brugia malayi beta-lactamase family protein 0.004 0.0181 0.0539
Echinococcus multilocularis disintegrin and metalloproteinase 0.0134 0.141 0.1388
Loa Loa (eye worm) hypothetical protein 0.0068 0.0542 0.1513
Onchocerca volvulus 0.004 0.0181 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0284 0.3359 0.8039
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Loa Loa (eye worm) hypothetical protein 0.0028 0.0022 0.0062
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0181 0.0156
Trypanosoma brucei ISWI complex protein 0.0031 0.0062 0.1224
Echinococcus multilocularis GPCR, family 2 0.0031 0.0067 0.0042
Loa Loa (eye worm) hypothetical protein 0.0031 0.0067 0.0187
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0159 0.2283
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0181 0.0603
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.0608 0.0584
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Schistosoma mansoni zinc finger protein 0.0031 0.0062 0.0096
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0067 0.0187
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0046 0.0254 0.0229
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0159 0.3227
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0181 0.0382
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0181 0.3688
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0159 0.8773
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0284 0.3359 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0025 0.0461
Schistosoma mansoni hypothetical protein 0.0031 0.0062 0.0096
Plasmodium vivax hypothetical protein, conserved 0.004 0.0181 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.014 0.1829
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0181 1
Echinococcus granulosus adam 0.0176 0.1956 0.4655
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0159 0.0472
Loa Loa (eye worm) hypothetical protein 0.0078 0.0672 0.1876
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0159 0.2283
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0121 0.1236 0.1214
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0181 0.0603
Echinococcus multilocularis zinc finger protein 0.004 0.0175 0.015
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0159 0.0529
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0181 0.0603
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0103 0.1007 0.0984
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0109 0.0208
Leishmania major hypothetical protein, conserved 0.0031 0.0062 0.1282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0284 0.3359 0.3342
Mycobacterium leprae conserved hypothetical protein 0.004 0.0181 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0067 0.0042
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0159 0.2283
Echinococcus granulosus GPCR family 2 0.0031 0.0067 0.01
Brugia malayi ADAM-TS Spacer 1 family protein 0.0078 0.0673 0.2004
Echinococcus multilocularis snurportin 1 0.0301 0.3584 0.3567
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0181 0.0603
Loa Loa (eye worm) angiogenesis inhibito 0.0028 0.0022 0.0062
Leishmania major hypothetical protein, conserved 0.004 0.0181 0.373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0284 0.3359 0.804
Brugia malayi RNA, U transporter 1 0.008 0.0703 0.2094
Schistosoma mansoni importin beta-1 0.0028 0.0025 0.0008
Brugia malayi ADAMTS-like protease 0.0078 0.0673 0.2004
Loa Loa (eye worm) hypothetical protein 0.005 0.0309 0.0861
Mycobacterium tuberculosis Conserved protein 0.004 0.0181 0.0603
Echinococcus granulosus dna polymerase kappa 0.0038 0.0159 0.0321
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0505
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Schistosoma mansoni dihydroceramide desaturase 0.0134 0.141 0.3344
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0159 0.0329
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0103 0.1007 0.2366
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0067 0.0042
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0046 0.0254 0.0558
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Loa Loa (eye worm) beta-lactamase 0.004 0.0181 0.0505
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.014 0.7339
Onchocerca volvulus 0.004 0.0181 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0181 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0121 0.1236 0.292
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0159 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.0109 0.0083
Onchocerca volvulus 0.004 0.0181 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0181 0.0603
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0159 0.3227
Schistosoma mansoni hypothetical protein 0.0042 0.0203 0.0436
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0159 0.0134
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0159 0.3272
Echinococcus multilocularis dna polymerase eta 0.0063 0.0485 0.0461
Brugia malayi PHD-finger family protein 0.005 0.0316 0.0942
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.0109 0.0201
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0159 0.2283
Brugia malayi Bromodomain containing protein 0.0078 0.067 0.1996
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0109 0.0208
Loa Loa (eye worm) hypothetical protein 0.0028 0.0025 0.0071
Brugia malayi Bromodomain containing protein 0.0152 0.1641 0.4885
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0181 0.0603
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0108
Giardia lamblia DINP protein human, muc B family 0.0038 0.0159 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0284 0.3359 0.9373
Toxoplasma gondii ABC1 family protein 0.004 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0673 0.1878

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.
 
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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