Detailed information for compound 1836586

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.356 | Formula: C16H13F2N3S
  • H donors: 1 H acceptors: 1 LogP: 5.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1/C(=N/Nc1sc2c(n1)c(C)ccc2)/C)F
  • InChi: 1S/C16H13F2N3S/c1-9-5-3-8-13-15(9)19-16(22-13)21-20-10(2)14-11(17)6-4-7-12(14)18/h3-8H,1-2H3,(H,19,21)/b20-10+
  • InChiKey: ILORQMAGISTYLC-KEBDBYFISA-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
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0031 0.0111 0.0226
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0037 0.0318 1
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0074 0.1663 0.3451
Schistosoma mansoni galactokinase 0.0112 0.3066 0.3064
Trypanosoma brucei mevalonate kinase, putative 0.0074 0.1663 0.3451
Leishmania major mevalonate kinase, putative 0.0074 0.1663 0.2026
Trypanosoma brucei homoserine kinase 0.0074 0.1663 0.3451
Toxoplasma gondii GHMP kinase, putative 0.0074 0.1663 0.542
Mycobacterium ulcerans homoserine kinase 0.0074 0.1663 0.2026
Trypanosoma cruzi fucose kinase, putative 0.0042 0.0521 0.0535
Brugia malayi Pre-SET motif family protein 0.0204 0.6427 1
Trypanosoma cruzi galactokinase, putative 0.0241 0.7768 1
Entamoeba histolytica galactokinase, putative 0.0241 0.7768 0.5
Loa Loa (eye worm) galactokinase 0.0112 0.3066 0.3064
Trypanosoma cruzi homoserine kinase 0.0074 0.1663 0.2026
Treponema pallidum galactokinase 0.021 0.6626 1
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0031 0.0111 0.0109
Trypanosoma cruzi fucose kinase, putative 0.0042 0.0521 0.0535
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0039 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0039 0.0036
Onchocerca volvulus 0.0031 0.0111 0.0097
Trichomonas vaginalis set domain proteins, putative 0.0232 0.7458 1
Schistosoma mansoni mevalonate kinase 0.0074 0.1663 0.1661
Leishmania major homoserine kinase, putative 0.0074 0.1663 0.2026
Plasmodium falciparum cysteine repeat modular protein 1 0.0037 0.0318 1
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0031 0.0111 0.0111
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0031 0.0111 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0037 0.0318 0.0315
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0036
Echinococcus granulosus tissue type plasminogen activator 0.0037 0.0318 0.0318
Toxoplasma gondii kringle domain-containing protein 0.0037 0.0318 0.103
Echinococcus granulosus galactokinase 0.0241 0.7768 0.7768
Brugia malayi hypothetical protein 0.0148 0.4384 0.682
Brugia malayi Protein kinase domain containing protein 0.0037 0.0318 0.0491
Mycobacterium ulcerans phosphomevalonate kinase 0.0074 0.1663 0.2026
Echinococcus multilocularis tissue type plasminogen activator 0.0037 0.0318 0.0315
Trichomonas vaginalis galactokinase, putative 0.0112 0.3066 0.4022
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.6427 0.6426
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0039 0.0039
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0074 0.1663 0.2026
Schistosoma mansoni hypothetical protein 0.0037 0.0318 0.0315
Giardia lamblia Mevalonate kinase 0.0074 0.1663 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0039 0.0036
Echinococcus multilocularis galactokinase 0.0241 0.7768 0.7767
Trichomonas vaginalis galactokinase, putative 0.0112 0.3066 0.4022
Leishmania major galactokinase-like protein 0.0241 0.7768 1
Brugia malayi Kringle domain containing protein 0.0037 0.0318 0.0491
Mycobacterium ulcerans galactokinase 0.0241 0.7768 1
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0074 0.1663 0.5
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0074 0.1663 1
Leishmania major hypothetical protein, conserved 0.0037 0.0318 0.027
Trichomonas vaginalis galactokinase, putative 0.0042 0.0521 0.0558
Echinococcus granulosus Mevalonate galactokinase 0.0074 0.1663 0.1663
Onchocerca volvulus 0.0148 0.4384 0.5857
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0031 0.0111 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.0111 0.0109
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0241 0.7768 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0039 0.0057
Brugia malayi mevalonate kinase family protein 0.0074 0.1663 0.2584
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0318 0.027
Leishmania major phosphomevalonate kinase protein, putative 0.0074 0.1663 0.2026
Trypanosoma brucei galactokinase-like protein, putative 0.016 0.4814 1
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0074 0.1663 0.2026
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0031 0.0111 0.0226
Trypanosoma cruzi galactokinase, putative 0.0241 0.7768 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1663 0.1661
Loa Loa (eye worm) hypothetical protein 0.0148 0.4384 0.4383
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0039 0.0036
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0039 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0039 0.0036
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0074 0.1663 0.2026
Brugia malayi RNA, U transporter 1 0.008 0.1908 0.2965
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0031 0.0111 0.0169
Trichomonas vaginalis galactokinase, putative 0.0112 0.3066 0.4022
Echinococcus granulosus N acetylgalactosamine kinase 0.0112 0.3066 0.3066
Echinococcus granulosus importin subunit beta 1 0.0028 0.0003 0.0003
Echinococcus multilocularis N acetylgalactosamine kinase 0.0112 0.3066 0.3064
Trypanosoma cruzi galactokinase-like protein, putative 0.021 0.6626 0.8509
Trypanosoma cruzi galactokinase, putative 0.021 0.6626 0.8509
Echinococcus multilocularis Mevalonate galactokinase 0.0074 0.1663 0.1661
Loa Loa (eye worm) hypothetical protein 0.0037 0.0318 0.0315
Trichomonas vaginalis galactokinase, putative 0.0112 0.3066 0.4022
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0039 0.0036
Trypanosoma cruzi homoserine kinase 0.0074 0.1663 0.2026
Onchocerca volvulus 0.0232 0.7458 1
Brugia malayi galactokinase family protein 0.0112 0.3066 0.4768
Onchocerca volvulus 0.0037 0.0318 0.0376
Plasmodium vivax SET domain protein, putative 0.0029 0.0039 0.1155
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0112 0.3066 1
Trypanosoma cruzi mevalonate kinase, putative 0.0074 0.1663 0.2026

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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