Detailed information for compound 2073674

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.298 | Formula: C15H14N4O
  • H donors: 3 H acceptors: 1 LogP: 1.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NC(=O)c1ccc2c(c1)C(N)c1c2cccc1)N
  • InChi: 1S/C15H14N4O/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18/h1-7,13H,16H2,(H4,17,18,19,20)
  • InChiKey: OBWQHLRQOGPTEN-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
Brugia malayi acetyltransferase, GNAT family protein 0.0121 0.2668 0.5115
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0013 0 0.0002
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0013 0 0.0002
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0158 0.3564 0.6832
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0013 0.0011 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0013 0 0.0001
Entamoeba histolytica acetyltransferase, GNAT family 0.0033 0.0489 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Loa Loa (eye worm) cytochrome P450 0.0013 0 0.0001
Mycobacterium tuberculosis Conserved protein 0.0025 0.0288 0.0814
Echinococcus granulosus ornithine aminotransferase 0.0013 0.0011 0.0011
Trypanosoma cruzi cytochrome P450, putative 0.0013 0 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0013 0 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0013 0 0.0001
Loa Loa (eye worm) beta-lactamase 0.0025 0.0288 0.0552
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0013 0 0.0002
Brugia malayi cytochrome P450 0.0013 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0093 0.198 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0013 0 0.0001
Mycobacterium leprae conserved hypothetical protein 0.0025 0.0288 0.1452
Trypanosoma cruzi cytochrome P450, putative 0.0013 0 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0013 0 0.0001
Mycobacterium tuberculosis Probable lipase LipD 0.0025 0.0288 0.0814
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0013 0 0.0002
Trichomonas vaginalis D-aminoacylase, putative 0.0025 0.0288 0.0552
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0013 0.0011 0.0016
Mycobacterium ulcerans hypothetical protein 0.0093 0.198 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0036 0.0562 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0025 0.0288 0.0814
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0013 0 0.0002
Plasmodium vivax ornithine aminotransferase, putative 0.0013 0.0011 0.0202
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0025 0.0288 0.04
Brugia malayi Hint module family protein 0.0114 0.2487 0.4767
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0 0.0009
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0 0.0017
Plasmodium falciparum histone acetyltransferase GCN5 0.0033 0.0489 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0013 0.0011 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0013 0.0011 0.0057
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0013 0 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0155 0.351 0.6728
Mycobacterium tuberculosis Probable aminotransferase 0.0093 0.198 0.5599
Mycobacterium tuberculosis Probable esterase LipL 0.0025 0.0288 0.0814
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0013 0 0.0001
Leishmania major cytochrome p450-like protein 0.0013 0 0.0017
Loa Loa (eye worm) hypothetical protein 0.0181 0.414 0.7936
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0013 0 0.0002
Brugia malayi beta-lactamase family protein 0.0025 0.0288 0.0552
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0013 0.0011 0.0057
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0 0.0001
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0025 0.0288 0.1454
Leishmania major cytochrome p450-like protein 0.0013 0 0.0017
Loa Loa (eye worm) acetyltransferase 0.0121 0.2668 0.5115
Mycobacterium ulcerans esterase/lipase LipP 0.0025 0.0288 0.1454
Toxoplasma gondii ABC1 family protein 0.0025 0.0288 0.5122
Schistosoma mansoni cytochrome P450 0.0013 0 0.0001
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0093 0.198 0.5599
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0013 0 0.0001
Echinococcus multilocularis ornithine aminotransferase 0.0013 0.0011 0.0011
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0013 0.0011 0.0022
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0013 0 0.0002
Brugia malayi Cytochrome P450 family protein 0.0013 0 0.0001
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0013 0.0011 0.0057
Echinococcus multilocularis smoothened 0.0185 0.4234 0.4234
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0013 0 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0013 0 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0013 0 0.0001
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0025 0.0288 0.0814
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0013 0.0011 0.0202
Trypanosoma brucei cytochrome P450, putative 0.0013 0 0.0017
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0013 0 0.0001
Trichomonas vaginalis D-aminoacylase, putative 0.0025 0.0288 0.0552
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0013 0.0011 0.0032
Echinococcus granulosus Aminotransferase class III 0.0013 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0013 0 0.0002
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0288 1
Mycobacterium tuberculosis Conserved protein 0.0025 0.0288 0.0814
Echinococcus granulosus smoothened 0.0185 0.4234 0.4234
Mycobacterium tuberculosis Probable hydrolase 0.0025 0.0288 0.0814
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0288 1
Leishmania major cytochrome p450-like protein 0.0013 0 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0013 0 0.0001
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Echinococcus granulosus beta LACTamase domain containing family member 0.0025 0.0288 0.0288
Brugia malayi follicle stimulating hormone receptor 0.0158 0.3564 0.6832
Loa Loa (eye worm) hypothetical protein 0.0114 0.2487 0.4767
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0013 0 0.0002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0157 0.3537 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0013 0 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0013 0 0.0002
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0013 0 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0013 0 0.0001
Brugia malayi Cytochrome P450 family protein 0.0013 0 0.0001
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0013 0 0.0001
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Leishmania major hypothetical protein, conserved 0.0025 0.0288 1
Schistosoma mansoni hypothetical protein 0.0305 0.7198 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0225 0.5216 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0036 0.0562 0.1078
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0025 0.0288 0.0552
Loa Loa (eye worm) hypothetical protein 0.0114 0.2487 0.4767
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0225 0.5216 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0025 0.0288 0.0288
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0013 0 0.0001
Echinococcus granulosus histone acetyltransferase KAT2B 0.0118 0.2584 0.2584
Trichomonas vaginalis D-aminoacylase, putative 0.0025 0.0288 0.0552
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0013 0.0011 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0288 0.1454
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0013 0 0.0002
Mycobacterium leprae Probable lipase LipE 0.0025 0.0288 0.1452
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0093 0.198 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0036 0.0562 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0013 0 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.0155 0.351 0.6728
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0121 0.2668 0.3706
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0013 0 0.0002
Plasmodium falciparum ornithine aminotransferase 0.0013 0.0011 0.0233
Echinococcus granulosus histone acetyltransferase KAT2B 0.0036 0.0562 0.0562
Mycobacterium ulcerans beta-lactamase 0.0025 0.0288 0.1454
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Brugia malayi beta-lactamase family protein 0.0025 0.0288 0.0552
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0013 0.0011 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0013 0 0.0001
Echinococcus multilocularis ornithine aminotransferase 0.0013 0.0011 0.0011
Mycobacterium ulcerans L-lysine aminotransferase 0.0013 0.0011 0.0057
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0013 0 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0288 1
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Treponema pallidum exodeoxyribonuclease (exoA) 0.0013 0 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0013 0 0.0017
Giardia lamblia Histone acetyltransferase GCN5 0.0033 0.0489 1
Mycobacterium tuberculosis Conserved protein 0.0025 0.0288 0.0814
Trichomonas vaginalis penicillin-binding protein, putative 0.0025 0.0288 0.0552
Brugia malayi beta-lactamase 0.0025 0.0288 0.0552
Mycobacterium tuberculosis Probable lipase LipE 0.0025 0.0288 0.0814
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0013 0 0.0001
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0 0.0017
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0 0.0017
Brugia malayi Cytochrome P450 family protein 0.0013 0 0.0001
Trichomonas vaginalis glucosylceramidase, putative 0.0225 0.5216 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0013 0 0.0001
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0013 0.0011 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Schistosoma mansoni hypothetical protein 0.0013 0 0.0001
Onchocerca volvulus Glucosylceramidase homolog 0.0148 0.3314 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0567 0.1088
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0025 0.0288 0.0552
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0093 0.198 0.3796
Echinococcus multilocularis hedgehog 0.0419 1 1
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0013 0.0011 0.0055
Trichomonas vaginalis penicillin-binding protein, putative 0.0025 0.0288 0.0552
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0013 0.0011 0.0032
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0036 0.0562 1
Loa Loa (eye worm) CYP4Cod1 0.0013 0 0.0001
Mycobacterium ulcerans lipase LipD 0.0025 0.0288 0.1454
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0036 0.0562 0.1078
Trichomonas vaginalis glucosylceramidase, putative 0.0148 0.3314 0.6354
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0025 0.0288 0.0814
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0013 0 0.0002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0025 0.0288 0.04
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0567 0.1088
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0288 0.5122
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0121 0.2668 0.2668
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0013 0.0011 0.5
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0013 0.0011 0.0057
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0013 0 0.0002
Brugia malayi Hint module family protein 0.0114 0.2487 0.4767
Echinococcus multilocularis Aminotransferase class III 0.0013 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0013 0 0.0002
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0013 0 0.0002
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0013 0.0011 0.0055
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0013 0 0.0002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0288 0.0552
Trichomonas vaginalis esterase, putative 0.0025 0.0288 0.0552

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.

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