Detailed information for compound 779676

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.829 | Formula: C20H18ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=C1C(=Nc2n(C1c1cccc(c1)Cl)c1ccccc1n2)C)O
  • InChi: 1S/C20H18ClN3O2/c1-3-26-19(25)17-12(2)22-20-23-15-9-4-5-10-16(15)24(20)18(17)13-7-6-8-14(21)11-13/h4-11,18,25H,3H2,1-2H3
  • InChiKey: NWOGRSZWYYXOMC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0217 0.4212 0.4357
Loa Loa (eye worm) hypothetical protein 0.0046 0.0304 0.0389
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0112 0.1817 0.4053
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0195 0.0869
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0258
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0105 0.1654 0.904
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0195 0.0869
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0479 0.2646
Chlamydia trachomatis DNA gyrase subunit B 0.0217 0.4212 0.4358
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0112 0.0144
Plasmodium vivax DNA gyrase subunit B, putative 0.0217 0.4212 0.4425
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0087 0.1241 0.1375
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0439 0.9273 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0105 0.1654 0.1569
Giardia lamblia DNA topoisomerase II 0.0097 0.1472 0.5
Loa Loa (eye worm) ICD-1 protein 0.0041 0.0195 0.025
Echinococcus multilocularis dihydrofolate reductase 0.0046 0.0305 0.1134
Toxoplasma gondii DNA topoisomerase 2, putative 0.0105 0.1654 0.1607
Plasmodium vivax DNA gyrase subunit A, putative 0.0439 0.9273 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0386 0.1609
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0158 0.2858 0.3503
Leishmania major DNA topoisomerase ii 0.0087 0.1241 0.1375
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0158 0.2858 0.2934
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0156 0.2814 0.3444
Leishmania major C-8 sterol isomerase-like protein 0.0374 0.7799 1
Chlamydia trachomatis DNA gyrase subunit B 0.0166 0.3052 0.3064
Plasmodium falciparum DNA gyrase subunit A 0.0439 0.9273 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0386 0.0495
Schistosoma mansoni transcription factor btf3 0.0041 0.0195 0.0552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0386 0.1609
Trypanosoma cruzi DNA topoisomerase II, putative 0.0087 0.1241 0.1375
Loa Loa (eye worm) thymidylate synthase 0.0112 0.1817 0.233
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0487 0.0391
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0386 0.0289
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0386 0.1609
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0374 0.7799 1
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0439 0.9273 1
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0051 0.0424 0.0319
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.011 0.1774 0.174
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0158 0.2858 0.3503
Echinococcus granulosus dihydrofolate reductase 0.0046 0.0305 0.1134
Plasmodium falciparum DNA gyrase subunit B 0.0217 0.4212 0.4425
Loa Loa (eye worm) hypothetical protein 0.0374 0.7799 1
Brugia malayi dihydrofolate reductase family protein 0.0046 0.0305 0.0207
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0487 0.0625
Loa Loa (eye worm) dihydrofolate reductase 0.0046 0.0305 0.0391
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0087 0.1241 0.1375
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0105 0.1654 0.1569
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0156 0.2814 0.3444
Entamoeba histolytica DNA topoisomerase II, putative 0.0105 0.1654 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0439 0.9273 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0217 0.4212 0.4357
Brugia malayi thymidylate synthase 0.0112 0.1817 0.1734
Echinococcus granulosus thymidylate synthase 0.0112 0.1817 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0374 0.7799 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0105 0.1654 0.904
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.2858 0.2934
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.2858 0.2934
Loa Loa (eye worm) hypothetical protein 0.0046 0.0304 0.0389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0487 0.0391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0386 0.1666
Brugia malayi hypothetical protein 0.0053 0.0479 0.0382
Trypanosoma brucei DNA topoisomerase ii 0.0156 0.2814 0.3444
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.019 0.0522
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0439 0.9273 1
Plasmodium vivax DNA topoisomerase II, putative 0.0105 0.1654 0.1607
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0112 0.1817 1
Echinococcus granulosus transcription factor btf3 0.0041 0.0195 0.0487
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0374 0.7799 0.7776
Loa Loa (eye worm) TOPoisomerase family member 0.0105 0.1654 0.212
Mycobacterium ulcerans DNA gyrase subunit A 0.0439 0.9273 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0386 0.1666
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0053 0.0479 0.0373
Trichomonas vaginalis DNA topoisomerase II, putative 0.0105 0.1654 1
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.019 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0195 0.0869
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0386 0.1609
Chlamydia trachomatis dihydrofolate reductase 0.0046 0.0305 0.0002
Plasmodium falciparum DNA topoisomerase 2 0.0105 0.1654 0.1607
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0158 0.2858 0.3503
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.0479 0.0193
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0129
Brugia malayi beta-NAC-like protein 0.0041 0.0195 0.0096
Brugia malayi Dihydrofolate reductase 0.0046 0.0305 0.0207
Chlamydia trachomatis DNA gyrase subunit A 0.0439 0.9273 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0112 0.1817 0.1686
Trypanosoma cruzi DNA topoisomerase II, putative 0.0087 0.1241 0.1375
Brugia malayi Probable DNA topoisomerase II 0.0105 0.1654 0.1569
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0209 0.4035 1
Schistosoma mansoni dihydrofolate reductase 0.0046 0.0305 0.1194
Echinococcus multilocularis thymidylate synthase 0.0112 0.1817 1
Schistosoma mansoni DNA topoisomerase II 0.0105 0.1654 0.9047
Onchocerca volvulus 0.0112 0.1817 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0258
Echinococcus multilocularis transcription factor btf3 0.0041 0.0195 0.0487
Loa Loa (eye worm) hypothetical protein 0.0054 0.0487 0.0625
Leishmania major mitochondrial DNA topoisomerase II 0.0156 0.2814 0.3444
Mycobacterium ulcerans thymidylate synthase 0.0112 0.1817 0.1686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0386 0.1666
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0112 0.0012
Loa Loa (eye worm) hypothetical protein 0.0191 0.3626 0.465

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.