Detailed information for compound 414238

Basic information

Technical information
  • TDR Targets ID: 414238
  • Name: 1-(diaminomethylidene)-2-(2,4-dichlorophenyl) guanidine
  • MW: 246.097 | Formula: C8H9Cl2N5
  • H donors: 3 H acceptors: 0 LogP: 1.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NC(=N)Nc1ccc(cc1Cl)Cl
  • InChi: 1S/C8H9Cl2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
  • InChiKey: YUOBDYAVSVCCNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(diaminomethylene)-2-(2,4-dichlorophenyl)guanidine
  • 1-[bis(azanyl)methylidene]-2-(2,4-dichlorophenyl)guanidine
  • STK107178

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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1778 1 1
Echinococcus granulosus geminin 0.0311 0.1613 0.1612
Onchocerca volvulus 0.0035 0.0035 0.0297
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0111 0.047 0.0469
Entamoeba histolytica serine/threonine protein kinase, putative 0.0082 0.0304 0.0286
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0035 0.0317
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.1778 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.0293 0.0274
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0035 0.0263
Loa Loa (eye worm) hypothetical protein 0.0031 0.0016 0.0149
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0035 0.0016
Echinococcus multilocularis inositol monophosphatase 1 0.0032 0.0019 0.0018
Trichomonas vaginalis esterase, putative 0.0035 0.0035 0.0016
Trichomonas vaginalis CAMK family protein kinase 0.0041 0.0068 0.0049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Loa Loa (eye worm) hypothetical protein 0.008 0.0293 0.2958
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Echinococcus multilocularis muscleblind protein 1 0.013 0.0577 0.0576
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0137 0.1945
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0035 0.0317
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1778 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0082 0.0304 0.3077
Trypanosoma brucei polo-like protein kinase 0.0082 0.0304 0.0286
Mycobacterium tuberculosis Conserved protein 0.0035 0.0035 0.0317
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0111 0.047 0.7443
Onchocerca volvulus 0.008 0.0296 0.2574
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0111 0.047 0.0469
Loa Loa (eye worm) DEAH box polypeptide 35 0.0031 0.0016 0.0149
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1108 1
Trichomonas vaginalis conserved hypothetical protein 0.1778 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0111 0.047 0.4246
Loa Loa (eye worm) beta-lactamase 0.0035 0.0035 0.0345
Echinococcus granulosus inositol monophosphatase 1 0.0032 0.0019 0.0018
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0035 0.0317
Mycobacterium tuberculosis Conserved protein 0.0035 0.0035 0.0317
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0035 0.0562
Echinococcus granulosus microtubule associated protein 2 0.0668 0.3652 0.3651
Schistosoma mansoni serine/threonine protein kinase 0.0082 0.0304 0.0303
Schistosoma mansoni inositol monophosphatase 0.0032 0.0019 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0137 0.1945
Mycobacterium ulcerans lipase LipD 0.0035 0.0035 0.0263
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Giardia lamblia Rrm3p helicase 0.1778 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.1778 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0035 0.0034
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0111 0.047 0.4761
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0035 0.0016
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.1778 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.0137 0.0118
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.0137 0.0136
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.1778 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0082 0.0304 0.0303
Brugia malayi beta-lactamase 0.0035 0.0035 0.0345
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.008 0.0296 0.2989
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.0625 0.5646
Loa Loa (eye worm) hypothetical protein 0.013 0.0577 0.5839
Trypanosoma cruzi polo-like protein kinase, putative 0.0082 0.0304 0.0286
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0032 0.0019 0.5
Schistosoma mansoni inositol monophosphatase 0.0032 0.0019 0.0018
Onchocerca volvulus 0.0035 0.0035 0.0297
Leishmania major hypothetical protein, conserved 0.0035 0.0035 0.0016
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0032 0.0019 0.1329
Schistosoma mansoni hypothetical protein 0.1778 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0035 0.0263
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.0137 0.0136
Trypanosoma cruzi polo-like protein kinase, putative 0.0082 0.0304 0.0286
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.1452 0.1184
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.0293 0.0274
Entamoeba histolytica hypothetical protein, conserved 0.1778 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0035 0.0317
Brugia malayi Muscleblind-like protein 0.013 0.0577 0.5839
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.0987 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.0625 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0111 0.047 0.0452
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Mycobacterium ulcerans hypothetical protein 0.0035 0.0035 0.0263
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0035 0.0034
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0035 0.0345
Brugia malayi Probable ATP-dependent helicase DHX35 0.0031 0.0016 0.0149
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.0137 1
Onchocerca volvulus 0.0229 0.1146 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.0141 0.014
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Mycobacterium tuberculosis Conserved protein 0.0035 0.0035 0.0317
Schistosoma mansoni kinase 0.0042 0.0074 0.0073
Entamoeba histolytica DNA repair and recombination protein, putative 0.1778 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0035 0.0034
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0035 0.0345
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0035 0.0317
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Onchocerca volvulus 0.0035 0.0035 0.0297
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0137 0.0136
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0137 0.1945
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0035 0.0317
Echinococcus multilocularis geminin 0.0311 0.1613 0.1612
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.0137 0.1238
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0035 0.0016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.1452 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0041 0.0068 0.0049
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0137 0.0136
Schistosoma mansoni lipoxygenase 0.0053 0.0141 0.014
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0082 0.0304 0.0286
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0035 0.0016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Brugia malayi beta-lactamase family protein 0.0035 0.0035 0.0345
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0111 0.047 0.7443
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0111 0.047 0.0469
Schistosoma mansoni hypothetical protein 0.0311 0.1613 0.1612
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.008 0.0296 0.0295
Echinococcus multilocularis muscleblind protein 0.013 0.0577 0.0576
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0082 0.0304 0.3077
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.3652 0.3651
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1146 0.1129
Brugia malayi beta-lactamase family protein 0.0035 0.0035 0.0345
Loa Loa (eye worm) hypothetical protein 0.013 0.0577 0.5839
Toxoplasma gondii ABC1 family protein 0.0035 0.0035 0.2501
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Loa Loa (eye worm) hypothetical protein 0.008 0.0296 0.2989
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0035 0.0016
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Loa Loa (eye worm) inositol-1 0.0032 0.0019 0.0183
Onchocerca volvulus Serine\/threonine kinase homolog 0.0082 0.0304 0.265
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Trichomonas vaginalis CAMK family protein kinase 0.0082 0.0304 0.0286
Mycobacterium leprae Probable lipase LipE 0.0035 0.0035 0.0562
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0035 0.0016
Schistosoma mansoni hypothetical protein 0.0311 0.1613 0.1612
Brugia malayi Pre-SET motif family protein 0.0201 0.0987 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0035 0.0016
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.1778 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0035 1
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.3652 0.3651
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0104 0.0428 0.4328
Echinococcus multilocularis L aminoadipate semialdehyde 0.008 0.0296 0.0295
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0345
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.0141 0.014
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.1778 1 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0035 0.0263
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.1452 0.1436
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0035 0.0016
Echinococcus granulosus muscleblind protein 0.013 0.0577 0.0576
Echinococcus granulosus L aminoadipate semialdehyde 0.008 0.0296 0.0295
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.0625 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0082 0.0304 0.0303
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0035 0.0317
Brugia malayi Inositol-1 0.0032 0.0019 0.0183
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0035 0.0034

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 66.9 uM Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin ChEMBL. 16982193
IC50 (binding) = 66.9 uM Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin ChEMBL. 16982193

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

1 literature reference was collected for this gene.

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