Detailed information for compound 1179309

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 211.223 | Formula: C11H9N5
  • H donors: 1 H acceptors: 3 LogP: 1.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccn(c1)c1cccc(c1)c1[nH]nnn1
  • InChi: 1S/C11H9N5/c1-2-7-16(6-1)10-5-3-4-9(8-10)11-12-14-15-13-11/h1-8H,(H,12,13,14,15)
  • InChiKey: LEXDTPFPHRIPNN-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
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0318 0.0318
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1969 0.4067
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.1673 0.1657
Schistosoma mansoni hypothetical protein 0.0016 0.0019 0.0019
Plasmodium vivax SET domain protein, putative 0.0035 0.0369 0.1802
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1055 0.1055
Trypanosoma brucei unspecified product 0.0019 0.0076 0.0719
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0043 0.005
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0076 0.0076
Schistosoma mansoni DNA polymerase eta 0.0019 0.0076 0.0076
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0598 0.0598
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1055 0.2049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0679 0.0679
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1969 0.4067
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0598 0.058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0824 0.7644
Echinococcus multilocularis peregrin 0.0034 0.0361 0.0342
Leishmania major DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Schistosoma mansoni tar DNA-binding protein 0.0272 0.4814 0.4814
Loa Loa (eye worm) hypothetical protein 0.0041 0.0496 0.0995
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.1055 0.1038
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0076 0.5
Plasmodium vivax hypothetical protein, conserved 0.0071 0.1055 1
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.1055 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.1055 0.12
Schistosoma mansoni tar DNA-binding protein 0.0272 0.4814 0.4814
Schistosoma mansoni hypothetical protein 0.002 0.0097 0.0097
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.1055 0.2161
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.3174 0.3161
Echinococcus multilocularis tar DNA binding protein 0.0272 0.4814 0.4804
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.0118
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0076 0.0118
Schistosoma mansoni hypothetical protein 0.0285 0.5047 0.5047
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0318 0.0299
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0824 0.7644
Echinococcus granulosus dna polymerase kappa 0.0019 0.0076 0.0057
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Brugia malayi Pre-SET motif family protein 0.0035 0.0369 0.073
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0443 0.0425
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1055 0.2049
Mycobacterium tuberculosis Conserved protein 0.0071 0.1055 0.12
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0369 0.0369
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0478 0.046
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0131 0.0113
Loa Loa (eye worm) MBCTL1 0.0053 0.0719 0.146
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0272 0.4814 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0057
Plasmodium falciparum phd finger protein, putative 0.0032 0.0318 1
Loa Loa (eye worm) TAR-binding protein 0.0272 0.4814 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0952 0.1946
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0806 0.0788
Loa Loa (eye worm) hypothetical protein 0.0019 0.0076 0.0118
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0679 0.0661
Loa Loa (eye worm) hypothetical protein 0.0027 0.0218 0.0416
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0598 0.058
Brugia malayi beta-lactamase 0.0071 0.1055 0.2161
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0719
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0719 0.0702
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0478 0.0478
Loa Loa (eye worm) hypothetical protein 0.0037 0.0419 0.0833
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0598 0.1208
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0318 0.0299
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0824 0.0824
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0318 0.0623
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.1055 0.12
Loa Loa (eye worm) hypothetical protein 0.0069 0.1006 0.2058
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Brugia malayi jmjC domain containing protein 0.004 0.0478 0.0957
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.0583
Toxoplasma gondii ABC1 family protein 0.0071 0.1055 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0076 0.0057
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0719 0.146
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0824 0.0917
Loa Loa (eye worm) hypothetical protein 0.0051 0.0679 0.1376
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0369 0.0369
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.1055 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0218 0.207
Leishmania major DNA polymerase eta, putative 0.0019 0.0076 0.0719
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.1055 0.1038
Echinococcus granulosus zinc finger protein 0.0019 0.0078 0.0059
Brugia malayi beta-lactamase family protein 0.0071 0.1055 0.2161
Trichomonas vaginalis esterase, putative 0.0071 0.1055 0.2049
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0719 0.0719
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0824 0.7814
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.1055 0.12
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.1055 0.12
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0719 0.0702
Schistosoma mansoni hypothetical protein 0.0016 0.0019 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0824 0.7644
Schistosoma mansoni zinc finger protein 0.0019 0.0078 0.0078
Brugia malayi RNA recognition motif domain containing protein 0.0272 0.4814 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1055 0.2049
Trichomonas vaginalis set domain proteins, putative 0.0274 0.4856 1
Schistosoma mansoni hypothetical protein 0.0034 0.0364 0.0364
Onchocerca volvulus 0.0035 0.0369 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0583 0.0565
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.1055 0.2161
Loa Loa (eye worm) hypothetical protein 0.0055 0.0744 0.1511
Schistosoma mansoni tar DNA-binding protein 0.0272 0.4814 0.4814
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0076 0.0719
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0131 0.0131
Brugia malayi Bromodomain containing protein 0.0037 0.0417 0.0831
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.066 0.1338
Echinococcus multilocularis dna polymerase eta 0.0019 0.0076 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Mycobacterium ulcerans hypothetical protein 0.0071 0.1055 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.4232 0.8788
Schistosoma mansoni tar DNA-binding protein 0.0272 0.4814 0.4814
Mycobacterium leprae conserved hypothetical protein 0.0071 0.1055 0.5
Brugia malayi TAR-binding protein 0.0272 0.4814 1
Loa Loa (eye worm) beta-lactamase 0.0071 0.1055 0.2161
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0583 0.0565
Brugia malayi Bromodomain containing protein 0.0034 0.0361 0.0713
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0076 0.0118
Schistosoma mansoni bromodomain containing protein 0.0061 0.0871 0.0871
Onchocerca volvulus 0.0071 0.1055 0.1624
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0824 0.0807
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0824 0.0824
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.0583
Mycobacterium tuberculosis Conserved protein 0.0071 0.1055 0.12
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0583 0.0565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0583 0.0583
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0369 0.1802
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0598 0.0598
Brugia malayi Bromodomain containing protein 0.0073 0.1084 0.222
Mycobacterium ulcerans lipase LipD 0.0071 0.1055 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Brugia malayi RNA binding protein 0.0272 0.4814 1
Leishmania major hypothetical protein, conserved 0.0027 0.0218 0.207
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0318 0.119
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0218 0.207
Brugia malayi PHD-finger family protein 0.0032 0.0318 0.0623
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0679 0.0679
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0719 0.0702
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1055 0.2049
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.1055 0.12
Schistosoma mansoni hypothetical protein 0.0032 0.0318 0.0318
Onchocerca volvulus 0.0274 0.4856 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0583 0.1176
Brugia malayi hypothetical protein 0.0027 0.0218 0.0416
Loa Loa (eye worm) hypothetical protein 0.0034 0.0364 0.0718
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.1055 0.12
Giardia lamblia PHD finger protein 15 0.0032 0.0318 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0076 0.0719
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.1673 0.1657
Brugia malayi MH2 domain containing protein 0.012 0.1969 0.4067
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0032 0.0013
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0364 0.0718
Schistosoma mansoni jumonji domain containing protein 0.0083 0.1272 0.1272
Loa Loa (eye worm) RNA binding protein 0.0272 0.4814 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0679 0.0661
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0345 0.0327
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.1055 0.12
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0375 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0272 0.4814 0.4814
Onchocerca volvulus 0.0071 0.1055 0.1624
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0076 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1055 0.1055
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0824 0.7243
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1055 1
Echinococcus granulosus tar DNA binding protein 0.0272 0.4814 0.4804
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0719
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0478 0.0957
Loa Loa (eye worm) hypothetical protein 0.0053 0.0719 0.146
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0806 0.0788
Onchocerca volvulus 0.0047 0.0598 0.0617
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0318 0.119
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0076 0.0719
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0375 0.0356
Loa Loa (eye worm) hypothetical protein 0.0032 0.0318 0.0623
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Brugia malayi beta-lactamase family protein 0.0071 0.1055 0.2161
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0583 0.1176
Echinococcus granulosus peregrin 0.0034 0.0361 0.0342
Mycobacterium ulcerans beta-lactamase 0.0071 0.1055 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.1055 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0131 0.0113
Brugia malayi mbt repeat family protein 0.0047 0.0598 0.1208
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.005 0.066 0.1338
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.3174 0.3161
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0076 0.0076
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0598 0.0617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0583 0.0565
Loa Loa (eye worm) hypothetical protein 0.0071 0.1055 0.2161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.066 0.1338
Echinococcus multilocularis zinc finger protein 0.0019 0.0078 0.0059
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0032 0.0013
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0598 0.058
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0478 0.0478
Loa Loa (eye worm) hypothetical protein 0.0047 0.0598 0.1208
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0598 0.0598
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0455 0.8237 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1055 0.2049
Brugia malayi hypothetical protein 0.0017 0.0043 0.0049
Brugia malayi Pre-SET motif family protein 0.0241 0.4232 0.8788
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.1055 0.12
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0076 0.0719
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0824 0.0807
Brugia malayi jmjC domain containing protein 0.0104 0.1673 0.345
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0097 0.0162
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0719 0.0702
Schistosoma mansoni hypothetical protein 0.0016 0.0019 0.0019
Brugia malayi PHD-finger family protein 0.0024 0.0174 0.0324
Brugia malayi mbt repeat family protein 0.0047 0.0598 0.1208
Mycobacterium leprae Probable lipase LipE 0.0071 0.1055 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0218 0.207
Schistosoma mansoni hypothetical protein 0.0016 0.0019 0.0019
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.066 0.1338
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0318 0.119
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0598 0.058
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0369 0.0351
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0076 0.0719
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0551 0.0533
Loa Loa (eye worm) hypothetical protein 0.004 0.0462 0.0923
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0551 0.0533
Onchocerca volvulus 0.0071 0.1055 0.1624
Leishmania major hypothetical protein, conserved 0.0071 0.1055 1
Echinococcus granulosus dna polymerase eta 0.0019 0.0076 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1055 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 436.11 uM Cytotoxicity against human MT2 cells after 4 days by XTT assay ChEMBL. 19053778

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.