Detailed information for compound 1760193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.475 | Formula: C21H21N3O2S
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(C)c2c([nH]1)cc(cc2)N1C(=O)CSC1c1ccc(cc1)N(C)C
  • InChi: 1S/C21H21N3O2S/c1-13-10-19(25)22-18-11-16(8-9-17(13)18)24-20(26)12-27-21(24)14-4-6-15(7-5-14)23(2)3/h4-11,21H,12H2,1-3H3,(H,22,25)
  • InChiKey: RTBZVZAPWRXQLQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Onchocerca volvulus 0.0025 0 0.5
Leishmania major hypothetical protein, conserved 0.019 0.1006 0.1006
Schistosoma mansoni phenylalanine decarboxylase 0.019 0.1006 0.1006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0119 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0034 0.0051 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0096 0.0955
Schistosoma mansoni phenylalanine decarboxylase 0.019 0.1006 0.1006
Loa Loa (eye worm) hypothetical protein 0.1658 1 1
Schistosoma mansoni sphingosine phosphate lyase 0.1658 1 1
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.1658 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0153 0.0153
Echinococcus multilocularis tar DNA binding protein 0.0053 0.0171 0.0171
Trichomonas vaginalis group II pyridoxal-5-phosphate decarboxylase, putative 0.019 0.1006 1
Echinococcus multilocularis sphingosine 1 phosphate lyase 1 0.1658 1 1
Loa Loa (eye worm) hypothetical protein 0.019 0.1006 0.1006
Echinococcus granulosus importin subunit beta 1 0.003 0.0026 0.0026
Mycobacterium ulcerans glutamate decarboxylase 0.019 0.1006 1
Brugia malayi Pyridoxal-dependent decarboxylase conserved domain containing protein 0.019 0.1006 0.1006
Schistosoma mansoni tar DNA-binding protein 0.0053 0.0171 0.0171
Schistosoma mansoni hypothetical protein 0.004 0.0087 0.0087
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0431 0.0431
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0141 0.0141
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0141 0.0141
Schistosoma mansoni phenylalanine decarboxylase 0.019 0.1006 0.1006
Brugia malayi Importin beta-1 subunit 0.003 0.0026 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0119 0.0576 0.0576
Echinococcus granulosus expressed conserved protein 0.009 0.0395 0.0395
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0026 1
Trypanosoma brucei Pyridoxal-dependent decarboxylase conserved domain containing protein, putative 0.019 0.1006 0.1006
Brugia malayi glutamate decarboxylase, 67 kDa isoform 0.019 0.1006 0.1006
Echinococcus multilocularis transient receptor potential gamma protein 0.01 0.0455 0.0455
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0117 0.0117
Schistosoma mansoni transient receptor potential channel 0.0066 0.0248 0.0248
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0096 0.0096
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0053 0.0171 0.0171
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0026 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0117 0.0117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0117 0.0117
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.0682 0.0682
Schistosoma mansoni tar DNA-binding protein 0.0053 0.0171 0.0171
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0096 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.019 0.1006 0.1006
Schistosoma mansoni tar DNA-binding protein 0.0053 0.0171 0.0171
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0026 0.0026
Schistosoma mansoni importin beta-1 0.003 0.0026 0.0026
Brugia malayi glutamate decarboxylase putative 0.019 0.1006 0.1006
Echinococcus granulosus aromatic amino acid decarboxylase 0.019 0.1006 0.1006
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0037 0.0072 0.0072
Trypanosoma cruzi Pyridoxal-dependent decarboxylase conserved domain containing protein, putative 0.019 0.1006 0.1006
Echinococcus granulosus transient receptor potential ion channel A 0.0096 0.0434 0.0434
Plasmodium falciparum importin beta, putative 0.003 0.0026 0.5
Mycobacterium leprae conserved hypothetical protein 0.0025 0 0.5
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.044 0.044
Schistosoma mansoni hypothetical protein 0.0316 0.178 0.178
Echinococcus multilocularis protein dispatched 1 0.0047 0.0132 0.0132
Brugia malayi Aromatic-L-amino-acid decarboxylase 0.019 0.1006 0.1006
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0096 0.0096
Mycobacterium tuberculosis Probable glutamate decarboxylase GadB 0.019 0.1006 1
Schistosoma mansoni transient receptor potential channel 0.0066 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0063 0.0228 0.0228
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0033 0.0047 0.0047
Mycobacterium ulcerans glutamate decarboxylase 0.019 0.1006 1
Schistosoma mansoni transient receptor potential channel 4 0.01 0.0455 0.0455
Echinococcus multilocularis transient receptor potential ion channel A 0.0096 0.0434 0.0434
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0788 0.4673 0.4673
Loa Loa (eye worm) hypothetical protein 0.0041 0.0096 0.0096
Entamoeba histolytica s phingosine-1-phosphate lyase 1, putative 0.1658 1 1
Leishmania major sphingosine 1-phosphate lyase 0.1658 1 1
Brugia malayi CHE-14 protein 0.0041 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0096 0.0431 0.0431
Mycobacterium leprae Probable lipase LipE 0.0025 0 0.5
Echinococcus granulosus sphingosine 1 phosphate lyase 1 0.1658 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0047 0.0047
Brugia malayi RNA, U transporter 1 0.0084 0.036 0.036
Echinococcus multilocularis aromatic amino acid decarboxylase 0.019 0.1006 0.1006
Loa Loa (eye worm) aromatic L-amino acid decarboxylase 0.019 0.1006 0.1006
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0431 0.0431
Trypanosoma cruzi sphingosine 1-phosphate lyase, putative 0.1658 1 1
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0096 0.0096
Schistosoma mansoni tar DNA-binding protein 0.0053 0.0171 0.0171
Trypanosoma cruzi Pyridoxal-dependent decarboxylase conserved domain containing protein, putative 0.019 0.1006 0.1006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0117 0.0117
Brugia malayi RNA recognition motif domain containing protein 0.0053 0.0171 0.0171
Echinococcus granulosus geminin 0.0119 0.0576 0.0576
Brugia malayi TAR-binding protein 0.0053 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.01 0.0455 0.0455
Schistosoma mansoni hypothetical protein 0.004 0.0087 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0053 0.0171 0.0171
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.0248 0.0248
Schistosoma mansoni patched 1 0.0041 0.0096 0.0096
Loa Loa (eye worm) glutamate decarboxylase GAD1 0.019 0.1006 0.1006
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.0682 0.0682
Schistosoma mansoni hypothetical protein 0.004 0.0087 0.0087
Echinococcus multilocularis snurportin 1 0.0316 0.178 0.178
Onchocerca volvulus 0.0025 0 0.5
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.0072 0.0072
Loa Loa (eye worm) RNA binding protein 0.0053 0.0171 0.0171
Loa Loa (eye worm) TAR-binding protein 0.0053 0.0171 0.0171
Onchocerca volvulus 0.0025 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.0248 0.0248
Schistosoma mansoni hypothetical protein 0.004 0.0087 0.0087
Echinococcus granulosus snurportin 1 0.0316 0.178 0.178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0117 0.0117
Loa Loa (eye worm) TDC-1 protein 0.019 0.1006 0.1006
Brugia malayi RNA binding protein 0.0053 0.0171 0.0171
Echinococcus granulosus transient receptor potential gamma protein 0.01 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.0033 0.0047 0.0047
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0141 0.0141
Echinococcus granulosus tar DNA binding protein 0.0053 0.0171 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0117 0.0117
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0431 0.0431
Echinococcus multilocularis geminin 0.0119 0.0576 0.0576
Echinococcus multilocularis protein patched 0.0041 0.0096 0.0096
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.0248 0.0248
Brugia malayi biogenic amine synthesis related protein 1 0.019 0.1006 0.1006
Echinococcus multilocularis pyridoxal dependent decarboxylase 0.019 0.1006 0.1006
Trypanosoma brucei sphingosine 1-phosphate lyase, putative 0.1658 1 1
Loa Loa (eye worm) sphingosine-1-phosphate lyase 1 0.019 0.1006 0.1006
Schistosoma mansoni phenylalanine decarboxylase 0.019 0.1006 0.1006
Echinococcus multilocularis expressed conserved protein 0.009 0.0395 0.0395
Echinococcus multilocularis importin subunit beta 1 0.003 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0048 0.0141 0.0141
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.178 0.178
Brugia malayi Transient-receptor-potential like protein 0.0037 0.0072 0.0072
Echinococcus granulosus pyridoxal dependent decarboxylase 0.019 0.1006 0.1006
Plasmodium vivax importin-beta 2, putative 0.003 0.0026 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0162 0.0838 0.8325
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.0072 0.0072
Schistosoma mansoni transient receptor potential channel 0.01 0.0455 0.0455

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 33.267 % Cytotoxicity against human HeLa cells at 100 ug/ml after 24 hrs by MTT assay ChEMBL. 23548704

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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