Detailed information for compound 78726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.964 | Formula: C19H19ClN4S2
  • H donors: 1 H acceptors: 0 LogP: 4.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS/C(=N\c1cccc(c1)C1N=C2N(C1)CCS2)/Nc1ccccc1Cl
  • InChi: 1S/C19H19ClN4S2/c1-25-18(22-16-8-3-2-7-15(16)20)21-14-6-4-5-13(11-14)17-12-24-9-10-26-19(24)23-17/h2-8,11,17H,9-10,12H2,1H3,(H,21,22)
  • InChiKey: RHXWEURZMNLVPU-UHFFFAOYSA-N  

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
Schistosoma mansoni laminin gamma-3 chain 0.0018 0.0525 0.0346
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0018 0.0525 0.0346
Echinococcus granulosus fibropellin Ia 0.0018 0.0525 0.1068
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Schistosoma mansoni notch 0.0018 0.0525 0.0346
Onchocerca volvulus 0.0018 0.0525 0.0717
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Brugia malayi endoprotease bli-4 precursor 0.0009 0.0186 0.0186
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0009 0.0186 0.0186
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0186 0.0186
Echinococcus multilocularis membrane bound transcription factor site 1 0.0009 0.0186 0.0378
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Giardia lamblia High cysteine protein 0.0018 0.0525 0.5
Echinococcus multilocularis 0.0009 0.0186 0.0378
Schistosoma mansoni notch 0.0018 0.0525 0.0346
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0525 0.0525
Echinococcus granulosus peroxidasin 0.0141 0.492 1
Brugia malayi POT family protein 0.0083 0.283 0.283
Echinococcus granulosus protein jagged 1 0.0018 0.0525 0.1068
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0106 0.3665 0.7448
Loa Loa (eye worm) notch protein 0.0018 0.0525 0.0525
Schistosoma mansoni peroxidasin 0.0141 0.492 0.4824
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Schistosoma mansoni cell polarity protein 0.0018 0.0525 0.0346
Schistosoma mansoni peroxidasin 0.0141 0.492 0.4824
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0186 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0009 0.0186 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0009 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0186 0.0186
Schistosoma mansoni notch 0.0018 0.0525 0.0346
Brugia malayi Blistered cuticle protein 3 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Echinococcus granulosus neurogenic locus notch protein 4 0.0018 0.0525 0.1068
Echinococcus multilocularis fat cadherin tumor suppressor 0.0018 0.0525 0.1068
Echinococcus multilocularis neurogenic locus protein delta 0.0018 0.0525 0.1068
Echinococcus multilocularis neurogenic locus protein delta 0.0018 0.0525 0.1068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Schistosoma mansoni notch 0.0018 0.0525 0.0346
Echinococcus granulosus membrane bound transcription factor site 1 0.0009 0.0186 0.0378
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0525 0.0525
Echinococcus multilocularis fibropellin Ia 0.0018 0.0525 0.1068
Brugia malayi Animal haem peroxidase family protein 0.0141 0.492 0.492
Echinococcus multilocularis neural cadherin 0.0018 0.0525 0.1068
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0283 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0018 0.0534 0.0736
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0009 0.0186 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Echinococcus granulosus notch 0.0018 0.0525 0.1068
Echinococcus granulosus neurogenic locus notch protein 0.0018 0.0525 0.1068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Onchocerca volvulus 0.0141 0.492 1
Plasmodium falciparum subtilisin-like protease 3 0.0009 0.0186 0.5
Brugia malayi celfurPC protein 0.0009 0.0186 0.0186
Plasmodium vivax subtilisin-like protease 1 0.0009 0.0186 0.5
Onchocerca volvulus 0.0018 0.0525 0.0717
Echinococcus granulosus protein jagged 2 0.0018 0.0525 0.1068
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0018 0.0525 0.0717
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Mycobacterium leprae Possible secreted protease 0.0009 0.0186 0.5
Echinococcus granulosus delta-like protein 1 0.0018 0.0525 0.1068
Onchocerca volvulus 0.0018 0.0525 0.0717
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0106 0.3665 0.7448
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Brugia malayi Animal haem peroxidase family protein 0.0141 0.492 0.492
Onchocerca volvulus Chorion peroxidase homolog 0.0141 0.492 1
Onchocerca volvulus 0.0018 0.0525 0.0717
Plasmodium vivax subtilisin-like protease 2, putative 0.0009 0.0186 0.5
Loa Loa (eye worm) proprotein convertase 2 0.0009 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Onchocerca volvulus 0.0141 0.492 1
Loa Loa (eye worm) animal heme peroxidase 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0525 0.0525
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0009 0.0186 0.0378
Echinococcus multilocularis Furin 1 0.0009 0.0186 0.0378
Echinococcus granulosus protein jagged 1 0.0018 0.0525 0.1068
Onchocerca volvulus Dual oxidase homolog 0.0141 0.492 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0009 0.0186 0.0378
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Onchocerca volvulus Peroxidase homolog 0.0141 0.492 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Brugia malayi proprotein convertase 2 0.0009 0.0186 0.0186
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Brugia malayi Animal haem peroxidase family protein 0.0141 0.492 0.492
Onchocerca volvulus 0.0141 0.492 1
Echinococcus granulosus neurogenic locus protein delta 0.0018 0.0525 0.1068
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi Muscle positioning protein 4 0.0018 0.0525 0.0525
Onchocerca volvulus 0.0018 0.0525 0.0717
Brugia malayi Animal haem peroxidase family protein 0.0141 0.492 0.492
Echinococcus granulosus protein jagged 2 0.0018 0.0525 0.1068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Plasmodium vivax subtilisin-like serine protease, putative 0.0009 0.0186 0.5
Plasmodium falciparum subtilisin-like protease 2 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0141 0.492 0.492
Echinococcus granulosus slit 2 protein 0.0018 0.0525 0.1068
Brugia malayi Cadherin domain containing protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) Notch2 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Schistosoma mansoni notch 0.0018 0.0525 0.0346
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Onchocerca volvulus Peroxidasin homolog 0.0141 0.492 1
Echinococcus granulosus neuroendocrine convertase 2 0.0009 0.0186 0.0378
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0009 0.0186 0.5
Brugia malayi notch-like transmembrane receptor 0.0018 0.0525 0.0525
Schistosoma mansoni septate junction protein 0.0018 0.0525 0.0346
Onchocerca volvulus Slit protein homolog 0.0018 0.0525 0.0717
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0212 1
Brugia malayi GCC2 and GCC3 family protein 0.0018 0.0525 0.0525
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Echinococcus multilocularis neurogenic locus notch protein 0.0018 0.0525 0.1068
Brugia malayi EGF-like domain containing protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) subtilase 0.0283 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi neuroendocrine convertase 1 precursor 0.0009 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0186 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0186 0.5
Onchocerca volvulus Peroxidasin homolog 0.0141 0.492 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Trypanosoma brucei subtilisin peptidase 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Echinococcus multilocularis protein jagged 1 0.0018 0.0525 0.1068
Schistosoma mansoni slit 0.0018 0.0525 0.0346
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0009 0.0186 0.5
Echinococcus granulosus Furin 1 0.0009 0.0186 0.0378
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Brugia malayi Delta serrate ligand family protein 0.0018 0.0525 0.0525
Brugia malayi hypothetical protein 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Echinococcus granulosus neural cadherin 0.0018 0.0525 0.1068
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0009 0.0186 0.5
Onchocerca volvulus Putative cubilin 0.0018 0.0525 0.0717
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Loa Loa (eye worm) animal heme peroxidase 0.0141 0.492 0.492
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Echinococcus multilocularis neurogenic locus notch protein 0.0018 0.0525 0.1068
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0009 0.0186 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.0212 1
Onchocerca volvulus Peroxidase homolog 0.0141 0.492 1
Echinococcus granulosus neurogenic locus notch protein 0.0018 0.0525 0.1068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Loa Loa (eye worm) POT family protein 0.0083 0.283 0.283
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0009 0.0186 0.0186
Echinococcus multilocularis neurogenic locus notch protein 4 0.0018 0.0525 0.1068
Echinococcus multilocularis protein jagged 1 0.0018 0.0525 0.1068
Echinococcus multilocularis peroxidasin 0.0141 0.492 1
Echinococcus multilocularis protein jagged 2 0.0018 0.0525 0.1068
Brugia malayi Peroxidasin 0.0141 0.492 0.492
Brugia malayi Animal haem peroxidase family protein 0.0141 0.492 0.492
Schistosoma mansoni notch 0.0018 0.0534 0.0355
Echinococcus multilocularis notch 0.0018 0.0525 0.1068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Brugia malayi Cadherin domain containing protein 0.0018 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0009 0.0186 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0009 0.0186 0.0378
Loa Loa (eye worm) hypothetical protein 0.0141 0.492 0.492
Plasmodium falciparum subtilisin-like protease 1 0.0009 0.0186 0.5
Toxoplasma gondii EGF family domain-containing protein 0.0018 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0525 0.0525
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Echinococcus multilocularis slit 2 protein 0.0018 0.0525 0.1068
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0009 0.0186 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0212 1
Loa Loa (eye worm) animal heme peroxidase 0.0141 0.492 0.492
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0009 0.0186 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0525 0.0346
Echinococcus granulosus furin 0.0009 0.0186 0.0378

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NA 0 % Anthelmintic activity against adult liver fluke (Fasciola hepatica) in sheep, after peroral administration of 30 mg/kg of the compound was determined ; I means no effect on sheep fecal fluke egg output ChEMBL. 3116256
Activity (functional) 0 % Anthelmintic activity against adult liver fluke (Fasciola hepatica) in sheep following 20 mg/kg p.o.; No data ChEMBL. 3116256
Activity (functional) 0 % Anthelmintic activity against adult liver fluke (Fasciola hepatica) in sheep, after peroral administration of 15 mg/kg of the compound was determined; ND means no data ChEMBL. 3116256
Reduction (functional) % Nematocidal activity against N. dubius induced necropsy in mouse, after oral administration of 50 mg/kg of the compound ; ND means nodata ChEMBL. 3116256
Reduction (functional) % Nematocidal activity against N. dubius induced necropsy in mouse, after oral administration of 100 mg/kg of the compound ; ND means no data ChEMBL. 3116256
Reduction (functional) 0 % Nematocidal activity against N. dubius induced necropsy in mouse, after oral administration of 100 mg/kg of the compound ; ND means no data ChEMBL. 3116256
Reduction (functional) ND 0 % Nematocidal activity against N. dubius induced necropsy in mouse, after oral administration of 50 mg/kg of the compound ; ND means nodata ChEMBL. 3116256
Reduction (functional) = 23 % Nematocidal activity against Nematospiroides dubius induced necropsy in mouse, oral administration 200 mg/kg ChEMBL. 3116256

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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