Detailed information for compound 1077213

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 209.675 | Formula: C10H12ClN3
  • H donors: 0 H acceptors: 0 LogP: 3.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)/N=N/N1CCCC1
  • InChi: 1S/C10H12ClN3/c11-9-4-3-5-10(8-9)12-13-14-6-1-2-7-14/h3-5,8H,1-2,6-7H2/b13-12+
  • InChiKey: RULOESMZZJSNBD-OUKQBFOZSA-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
Schistosoma mansoni smad1 5 8 and 0.0016 0.0089 0.0108
Loa Loa (eye worm) mbt repeat family protein 0.0094 0.1225 0.2654
Schistosoma mansoni hypothetical protein 0.0041 0.0444 0.0541
Brugia malayi PHD-finger family protein 0.0051 0.0595 0.1521
Echinococcus granulosus fetal alzheimer antigen falz 0.0047 0.0527 0.0729
Brugia malayi mbt repeat family protein 0.0094 0.1225 0.3286
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Loa Loa (eye worm) hypothetical protein 0.0031 0.0295 0.064
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0094 0.1225 0.4475
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.012 0.1599 0.2514
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Plasmodium vivax hypothetical protein, conserved 0.0109 0.1438 1
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Echinococcus granulosus dnaJ subfamily B 0.0428 0.6097 1
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0444 0.0962
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0886 0.1326
Schistosoma mansoni smad 0.0016 0.0089 0.0108
Echinococcus multilocularis beta LACTamase domain containing family member 0.0109 0.1438 0.2245
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0341 0.0419
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Schistosoma mansoni myelin transcription factor 1 myt1 0.0107 0.1416 0.1723
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0352 0.0437
Trypanosoma cruzi ISWI complex protein 0.003 0.029 0.0646
Loa Loa (eye worm) hypothetical protein 0.0107 0.1416 0.3067
Plasmodium falciparum importin beta, putative 0.0031 0.0295 0.5
Loa Loa (eye worm) Smad1 0.0016 0.0089 0.0193
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.2457 0.6587
Echinococcus multilocularis SAM and MBT domain containing protein 0.0094 0.1225 0.1891
Echinococcus granulosus snurportin 1 0.0327 0.4616 0.7536
Mycobacterium ulcerans lipase LipD 0.0109 0.1438 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0089 0.0193
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.1438 0.3597
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.1438 0.175
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0341 0.0415
Schistosoma mansoni hypothetical protein 0.003 0.029 0.0353
Schistosoma mansoni hypothetical protein 0.0327 0.4616 0.5619
Brugia malayi MH1 domain containing protein 0.0016 0.0089 0.0102
Echinococcus granulosus polycomb protein SCMH1 0.0094 0.1225 0.1891
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0109 0.1438 0.3881
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0359 0.0777
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.012 0.1599 0.2514
Echinococcus multilocularis polycomb protein SCMH1 0.0094 0.1225 0.1891
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.3373 0.7307
Brugia malayi Bromodomain containing protein 0.0076 0.0954 0.2526
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0295 0.0045
Leishmania major hypothetical protein, conserved 0.003 0.029 0.0646
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Loa Loa (eye worm) hypothetical protein 0.0076 0.0956 0.2071
Mycobacterium ulcerans hypothetical protein 0.0109 0.1438 0.5
Schistosoma mansoni importin beta-1 0.0031 0.0295 0.036
Mycobacterium ulcerans esterase/lipase LipP 0.0109 0.1438 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1024 0.2219
Mycobacterium leprae conserved hypothetical protein 0.0109 0.1438 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0047 0.0527 0.0642
Loa Loa (eye worm) MBCTL1 0.0107 0.1416 0.3067
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Trypanosoma brucei hypothetical protein, conserved 0.0109 0.1438 1
Schistosoma mansoni sex comb on midleg homolog 0.0094 0.1225 0.1491
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0109 0.1438 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0107 0.1416 0.2208
Mycobacterium leprae Probable lipase LipE 0.0109 0.1438 0.5
Brugia malayi beta-lactamase 0.0109 0.1438 0.3881
Schistosoma mansoni cpg binding protein 0.0039 0.0418 0.0509
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0352 0.0428
Brugia malayi Bromodomain containing protein 0.015 0.2041 0.5571
Schistosoma mansoni zinc finger protein 0.0041 0.0441 0.0537
Loa Loa (eye worm) hypothetical protein 0.0034 0.0352 0.0761
Schistosoma mansoni smad1 5 8 and 0.0016 0.0089 0.0108
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.1438 0.175
Schistosoma mansoni cpg binding protein 0.0033 0.0335 0.0408
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Brugia malayi Smad1 0.0016 0.0089 0.0102
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0341 0.0415
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.1438 0.3597
Loa Loa (eye worm) hypothetical protein 0.0094 0.1225 0.2654
Echinococcus multilocularis zinc finger protein 0.0041 0.0441 0.0587
Onchocerca volvulus 0.0109 0.1438 0.5544
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0372 0.5273 0.8628
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Entamoeba histolytica hypothetical protein 0.0025 0.0211 0.5
Schistosoma mansoni smad1 5 8 and 0.0016 0.0089 0.0108
Loa Loa (eye worm) hypothetical protein 0.014 0.1889 0.4093
Schistosoma mansoni hypothetical protein 0.0428 0.6097 0.7421
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.2457 0.6587
Toxoplasma gondii ABC1 family protein 0.0109 0.1438 1
Loa Loa (eye worm) beta-lactamase 0.0109 0.1438 0.3114
Loa Loa (eye worm) hypothetical protein 0.0086 0.1107 0.2398
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.1438 0.3597
Brugia malayi beta-lactamase family protein 0.0109 0.1438 0.3881
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0886 0.1326
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.4616 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0259 0.3621 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0089 0.0108
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.2324 0.6196
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0352 0.0437
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0107 0.1416 0.2208
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.088 0.1071
Schistosoma mansoni sex comb on midleg homolog 0.0094 0.1225 0.1491
Onchocerca volvulus 0.0109 0.1438 0.5544
Onchocerca volvulus 0.0109 0.1438 0.5544
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0295 0.0344
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0089 0.0193
Brugia malayi beta-lactamase family protein 0.0109 0.1438 0.3881
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.1438 0.3597
Brugia malayi RNA, U transporter 1 0.0087 0.1119 0.2988
Schistosoma mansoni cpg binding protein 0.0039 0.0418 0.0509
Echinococcus granulosus zinc finger protein 0.0041 0.0441 0.0587
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Trichomonas vaginalis esterase, putative 0.0109 0.1438 0.3597
Onchocerca volvulus 0.0094 0.1225 0.4475
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0352 0.0428
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.1438 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0341 0.0419
Echinococcus multilocularis geminin 0.018 0.2473 0.3969
Echinococcus multilocularis dnaJ subfamily B 0.0428 0.6097 1
Echinococcus granulosus geminin 0.018 0.2473 0.3969
Echinococcus granulosus cpg binding protein 0.0039 0.0418 0.0547
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.3373 0.7307
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.3621 1
Brugia malayi MH1 domain containing protein 0.0016 0.0089 0.0102
Schistosoma mansoni Smad4 0.0016 0.0089 0.0108
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Echinococcus multilocularis snurportin 1 0.0327 0.4616 0.7536
Brugia malayi MH2 domain containing protein 0.0016 0.0089 0.0102
Mycobacterium ulcerans beta-lactamase 0.0109 0.1438 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0109 0.1438 0.3114
Toxoplasma gondii histone lysine methyltransferase SET1 0.0068 0.0838 0.4751
Echinococcus multilocularis histone acetyltransferase MYST2 0.0107 0.1416 0.2208
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0295 0.0045
Brugia malayi mbt repeat family protein 0.0094 0.1225 0.3286
Schistosoma mansoni hypothetical protein 0.018 0.2473 0.301
Brugia malayi MH2 domain containing protein 0.0242 0.3373 0.9305
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0107 0.1416 0.382
Brugia malayi CXXC zinc finger family protein 0.0033 0.0335 0.0792
Echinococcus granulosus histone acetyltransferase MYST2 0.0107 0.1416 0.2208
Leishmania major hypothetical protein, conserved 0.0109 0.1438 1
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.1438 0.3597
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0335 0.0726
Schistosoma mansoni zinc finger protein 0.003 0.029 0.0353
Schistosoma mansoni bromodomain containing protein 0.0127 0.1702 0.2072
Brugia malayi MH2 domain containing protein 0.0016 0.0089 0.0102
Brugia malayi Importin beta-1 subunit 0.0031 0.0295 0.0681
Schistosoma mansoni hypothetical protein 0.018 0.2473 0.301
Schistosoma mansoni hypothetical protein 0.0574 0.8216 1
Echinococcus multilocularis cpg binding protein 0.0039 0.0418 0.0547
Trypanosoma cruzi ISWI complex protein 0.003 0.029 0.0646
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0372 0.5273 0.8628
Loa Loa (eye worm) hypothetical protein 0.0109 0.1438 0.3114
Echinococcus granulosus SAM and MBT domain containing protein 0.0094 0.1225 0.1891
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.2324 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0094 0.1225 0.1491
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.1438 1
Echinococcus granulosus importin subunit beta 1 0.0031 0.0295 0.0344
Echinococcus granulosus beta LACTamase domain containing family member 0.0109 0.1438 0.2245
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0259 0.3621 0.7845
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0047 0.0527 0.0729

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 100 uM Cytotoxicity against human MT4 cells after 96 hrs by MTT assay ChEMBL. 19482481

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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