Detailed information for compound 1456673

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 172.541 | Formula: C3H2ClN7
  • H donors: 2 H acceptors: 5 LogP: -0.12 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1[nH]nnc1c1nn[nH][15n]1
  • InChi: 1S/C3H2ClN7/c4-2-1(5-9-6-2)3-7-10-11-8-3/h(H,5,6,9)(H,7,8,10,11)/i7+1
  • InChiKey: JXRUWLVGDAUZLM-CDYZYAPPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0125 0.0125
Brugia malayi jmjC domain containing protein 0.0045 0.1765 0.2707
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.096 0.1402
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0474 0.0587
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.3531 0.5715
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.6086 1
Giardia lamblia PHD finger protein 15 0.0035 0.119 1
Leishmania major modification methylase-like protein 0.0064 0.2961 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1881 0.2947
Trichomonas vaginalis rotamase, putative 0.0033 0.1076 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0125 0.0125
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2033 0.3201
Loa Loa (eye worm) hypothetical protein 0.0031 0.096 0.1676
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.1028 1
Schistosoma mansoni hypothetical protein 0.0031 0.096 0.096
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0353 0.0457
Trichomonas vaginalis rotamase, putative 0.0033 0.1028 0.9476
Schistosoma mansoni hypothetical protein 0.0035 0.119 0.119
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.5113 0.8359
Echinococcus granulosus DNA methyltransferase 2, putative 0.0064 0.2961 0.4758
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.1076 0.1908
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.016 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.119 0.3677
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.016 0.05
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.1028 0.1938
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2841 0.4557
Schistosoma mansoni phd finger protein 0.0016 0.0029 0.0029
Echinococcus granulosus disco interacting protein 2 0.0042 0.1588 0.2456
Brugia malayi Latrophilin receptor protein 2 0.0031 0.096 0.1351
Echinococcus granulosus peregrin 0.0051 0.2181 0.3449
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.096 0.1351
Schistosoma mansoni ap endonuclease 0.0018 0.016 0.016
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0064 0.2961 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.1028 0.3444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1881 0.1881
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.016 0.5
Brugia malayi Disco-interacting protein 2 homolog 0.0042 0.1588 0.241
Echinococcus granulosus expressed protein 0.0033 0.1076 0.1596
Toxoplasma gondii hypothetical protein 0.0092 0.464 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.016 0.006
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.119 0.1787
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1881 0.2947
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0064 0.2961 0.2961
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.016 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1881 0.3522
Brugia malayi CXXC zinc finger family protein 0.0036 0.1256 0.185
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.016 0.1452
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2033 0.3201
Brugia malayi PHD-finger family protein 0.0026 0.0625 0.0784
Echinococcus granulosus zinc finger protein 0.002 0.0285 0.027
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.016 0.0071
Schistosoma mansoni cpg binding protein 0.0038 0.1378 0.1378
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0042 0.1588 0.1588
Brugia malayi PHD-finger family protein 0.0035 0.119 0.1738
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.1028 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.119 0.2136
Onchocerca volvulus 0.0036 0.1256 0.1667
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.3531 0.5715
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.119 0.2299
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.096 0.1676
Loa Loa (eye worm) hypothetical protein 0.0042 0.1633 0.3024
Schistosoma mansoni hypothetical protein 0.0031 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0035 0.119 0.2136
Loa Loa (eye worm) hypothetical protein 0.0068 0.3191 0.6147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1881 0.2947
Echinococcus granulosus GPCR family 2 0.0031 0.096 0.1402
Echinococcus multilocularis disco interacting protein 2 0.0042 0.1588 0.2456
Loa Loa (eye worm) CXXC zinc finger family protein 0.0036 0.1256 0.2269
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0064 0.2961 0.6252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1881 0.1881
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.5113 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2727 0.5217
Loa Loa (eye worm) hypothetical protein 0.0099 0.5113 1
Brugia malayi Bromodomain containing protein 0.004 0.1478 0.2224
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0474 0.0587
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1076 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1765 0.1765
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0125 0.0125
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1881 0.2905
Loa Loa (eye worm) hypothetical protein 0.004 0.1482 0.2722
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.016 0.1452
Brugia malayi Bromodomain containing protein 0.0038 0.1341 0.1993
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1327 0.2017
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.1028 0.3444
Schistosoma mansoni hypothetical protein 0.0031 0.096 0.096
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.119 0.119
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.016 0.006
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2841 0.4557
Schistosoma mansoni hypothetical protein 0.0068 0.3191 0.3191
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0092 0.464 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.096 0.1402
Onchocerca volvulus 0.0042 0.1588 1
Schistosoma mansoni ap endonuclease 0.0018 0.016 0.016
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.1076 0.1546
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0064 0.2961 0.4758
Toxoplasma gondii DNA methyltransferase 2, putative 0.0064 0.2961 0.6252
Schistosoma mansoni hypothetical protein 0.0016 0.0013 0.0013
Schistosoma mansoni rotamase 0.0033 0.1076 0.1076
Plasmodium falciparum phd finger protein, putative 0.0035 0.119 0.2299
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.119 0.1787
Schistosoma mansoni hypothetical protein 0.0031 0.096 0.096
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1327 0.2017
Schistosoma mansoni jumonji domain containing protein 0.0092 0.4637 0.4637
Schistosoma mansoni cpg binding protein 0.0036 0.1256 0.1256
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.3481 0.6729
Schistosoma mansoni bromodomain containing protein 0.0066 0.3069 0.3069
Brugia malayi Bromodomain containing protein 0.0078 0.3815 0.6169
Echinococcus multilocularis zinc finger protein 0.002 0.0285 0.027
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0064 0.2961 1
Brugia malayi jmjC domain containing protein 0.0115 0.6086 1
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0064 0.2961 0.6252
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0125 0.0125
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1765 0.2751
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.016 0.05
Echinococcus multilocularis cpg binding protein 0.0038 0.1378 0.2103
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1765 0.1765
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.1028 0.3099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1881 0.1881
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1765 0.3287
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3191 0.5115
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0474 0.0474
Schistosoma mansoni hypothetical protein 0.0022 0.0353 0.0353
Echinococcus multilocularis GPCR, family 2 0.0031 0.096 0.1402
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.096 0.1402
Loa Loa (eye worm) hypothetical protein 0.0074 0.3543 0.6852
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1643 0.2547
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.016 0.5
Echinococcus granulosus cpg binding protein 0.0038 0.1378 0.2103
Echinococcus multilocularis expressed protein 0.0033 0.1076 0.1596
Echinococcus multilocularis peregrin 0.0051 0.2181 0.3449
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.5113 0.8359
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.096 0.1402
Loa Loa (eye worm) hypothetical protein 0.0042 0.1588 0.2934
Schistosoma mansoni zinc finger protein 0.002 0.0285 0.0285
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.6086 1
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0064 0.2961 1
Schistosoma mansoni zinc finger protein 0.0016 0.0013 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1881 0.2947
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0164 0.0078
Loa Loa (eye worm) hypothetical protein 0.0044 0.1755 0.3268
Schistosoma mansoni cpg binding protein 0.0038 0.1378 0.1378
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.119 0.2299

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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