Detailed information for compound 1044049

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.382 | Formula: C21H21Cl2N3OS
  • H donors: 1 H acceptors: 1 LogP: 5.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CCNCC1
  • InChi: 1S/C21H21Cl2N3OS/c1-27-17-5-3-15(4-6-17)26(16-8-10-24-11-9-16)21-25-20(13-28-21)18-12-14(22)2-7-19(18)23/h2-7,12-13,16,24H,8-11H2,1H3
  • InChiKey: WXACNUOKCQOXIN-UHFFFAOYSA-N  


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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 hypothetical protein 0.004 0.0088 0.0114
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.1178 0.8598
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.003 0.0026 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.04 0.0689
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus multilocularis geminin 0.034 0.1962 0.1941
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.04 0.0689
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Onchocerca volvulus 0.0236 0.1313 0.6969
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0108 0.0513 0.3632
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.1178 0.8598
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.039
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.0446 0.6272
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0059 0.006
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0325 0.2231
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0097 0.0113
Schistosoma mansoni patched 1 0.0041 0.0097 0.0131
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0108 0.0513 0.3632
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0245 0.1366 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0451 0.0783
Mycobacterium ulcerans putative regulatory protein 0.0078 0.0325 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0059 0.0033
Plasmodium falciparum phosphodiesterase delta, putative 0.003 0.0026 0.039
Echinococcus multilocularis expressed conserved protein 0.0091 0.0405 0.038
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.003 0.0026 0.0193
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0245 0.1366 0.2472
Echinococcus granulosus expressed conserved protein 0.0091 0.0405 0.0605
Mycobacterium ulcerans putative regulatory protein 0.0078 0.0325 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0097 0.0576
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0108 0.0513 0.3036
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.057 0.3372
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0144 0.0852
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0097 0.0071
Trypanosoma brucei hypothetical protein, conserved 0.003 0.0026 0.0193
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0108 0.0513 0.0778
Schistosoma mansoni hypothetical protein 0.004 0.0088 0.0114
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0167 0.088 0.6368
Toxoplasma gondii GAF domain-containing protein 0.0078 0.0325 0.276
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.003 0.0026 0.0193
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0245 0.1366 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.003 0.0026 0.039
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0097 0.0113
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Plasmodium falciparum GAF domain-related protein, putative 0.0078 0.0325 0.4812
Loa Loa (eye worm) pax transcription factor protein 2 0.0236 0.1313 0.7769
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.04 0.0375
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.04 0.2367
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0244 0.0402
Toxoplasma gondii hypothetical protein 0.0078 0.0325 0.276
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0245 0.1366 0.2141
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.039
Loa Loa (eye worm) kinesin-like protein KLP2 0.0134 0.0676 0.4
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.003 0.0026 0.0193
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0442 0.0664
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0156
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.04 0.0375
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Brugia malayi HSF-type DNA-binding domain containing protein 0.0097 0.0446 0.2639
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Schistosoma mansoni hypothetical protein 0.004 0.0088 0.0114
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0325 0.4812
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.003 0.0026 0.0156
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Brugia malayi hypothetical protein 0.0035 0.0059 0.0349
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.039
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.039
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0167 0.088 0.6368
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0108 0.0513 0.3036
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0078 0.0325 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0144 0.0852
Schistosoma mansoni hypothetical protein 0.0033 0.0047 0.0039
Brugia malayi RNA binding protein 0.0065 0.0244 0.1446
Toxoplasma gondii hypothetical protein 0.0078 0.0325 0.276
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0442 0.0416
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.1178 0.8598
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0108 0.0513 0.3632
Schistosoma mansoni hypothetical protein 0.0035 0.0059 0.006
Plasmodium falciparum phosphodiesterase gamma, putative 0.003 0.0026 0.039
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0059 0.0052
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0245 0.1366 1
Schistosoma mansoni hypothetical protein 0.004 0.0088 0.0114
Mycobacterium leprae conserved hypothetical protein 0.0078 0.0325 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0244 0.1446
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0078 0.0325 0.5
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0442 0.6203
Loa Loa (eye worm) PDE1B protein 0.003 0.0026 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.04 0.0689
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0156
Loa Loa (eye worm) hypothetical protein 0.0051 0.0156 0.0921
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.04 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0156
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.003 0.0026 0.0193
Toxoplasma gondii hypothetical protein 0.0215 0.1178 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0244 0.1446
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0244 0.1446
Leishmania major hypothetical protein, conserved 0.003 0.0026 0.0193
Plasmodium vivax phosphodiesterase gamma, putative 0.003 0.0026 0.039
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.003 0.0026 0.0193
Loa Loa (eye worm) hypothetical protein 0.0049 0.0144 0.0852
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0108 0.0513 0.0898
Brugia malayi Pax transcription factor protein 2 0.0236 0.1313 0.7769
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Leishmania major hypothetical protein, conserved 0.003 0.0026 0.0193
Loa Loa (eye worm) hypothetical protein 0.0097 0.0446 0.2639
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.003 0.0026 0.0193
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.003 0.0026 0.0156
Echinococcus multilocularis protein patched 0.0041 0.0097 0.0071
Loa Loa (eye worm) hypothetical protein 0.0297 0.169 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Schistosoma mansoni kinesin eg-5 0.0134 0.0676 0.1198
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.04 0.2367
Schistosoma mansoni hypothetical protein 0.034 0.1962 0.3571
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0245 0.1366 0.1343
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0442 0.2613
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0442 0.2613
Schistosoma mansoni hypothetical protein 0.0899 0.5447 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.07 0.0676
Plasmodium falciparum cGMP-specific phosphodiesterase 0.003 0.0026 0.039
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.0446 0.6272
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.039
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0244 0.0402
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0047 0.028
Echinococcus multilocularis kinesin family 1 0.1033 0.6284 0.6274
Onchocerca volvulus 0.0297 0.169 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.003 0.0026 0.0156
Schistosoma mansoni hypothetical protein 0.034 0.1962 0.3571
Brugia malayi Kinesin motor domain containing protein 0.0134 0.0676 0.4
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Echinococcus multilocularis protein dispatched 1 0.0047 0.0134 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0244 0.0402
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0078 0.0325 0.5
Brugia malayi hypothetical protein 0.0297 0.169 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0144 0.0852
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.003 0.0026 0.0156
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.057 0.3372
Loa Loa (eye worm) hypothetical protein 0.0108 0.0513 0.3036
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0026 0.0193
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0244 0.0219
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0325 0.1925
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0244 0.0402
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.0193
Echinococcus granulosus tar DNA binding protein 0.0065 0.0244 0.0348
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0245 0.1366 1
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.0446 0.6272
Brugia malayi TAR-binding protein 0.0065 0.0244 0.1446
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.04 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0108 0.0513 0.0488
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.1366 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Brugia malayi MH2 domain containing protein 0.0117 0.057 0.3372
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0047 0.028
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0245 0.1366 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.003 0.0026 0.0193
Plasmodium vivax kinesin-5 0.0134 0.0676 1
Plasmodium falciparum kinesin-5 0.0134 0.0676 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0245 0.1366 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0245 0.1366 1
Brugia malayi CHE-14 protein 0.0041 0.0097 0.0576
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0245 0.1366 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0245 0.1366 1
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.07 0.1077
Echinococcus granulosus kinesin family 1 0.1033 0.6284 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.003 0.0026 0.0193
Leishmania major cAMP-specific phosphodiesterase, putative 0.003 0.0026 0.0193
Loa Loa (eye worm) hypothetical protein 0.0041 0.0097 0.0576
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.003 0.0026 0.0224
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0244 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0097 0.053
Echinococcus granulosus geminin 0.034 0.1962 0.3093
Toxoplasma gondii kinesin motor domain-containing protein 0.0134 0.0676 0.5735
Giardia lamblia Kinesin-5 0.0134 0.0676 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0167 0.088 0.6438
Loa Loa (eye worm) RNA binding protein 0.0065 0.0244 0.1446
Entamoeba histolytica kinesin, putative 0.0134 0.0676 1

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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