Detailed information for compound 1034153

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.905 | Formula: C18H32ClNO3
  • H donors: 2 H acceptors: 1 LogP: 5.07 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCNCc1cc(OC(C)C)c(c(c1)OC(C)C)O.Cl
  • InChi: 1S/C18H31NO3.ClH/c1-6-7-8-9-19-12-15-10-16(21-13(2)3)18(20)17(11-15)22-14(4)5;/h10-11,13-14,19-20H,6-9,12H2,1-5H3;1H
  • InChiKey: OUSBAGHIINCXRZ-UHFFFAOYSA-N  

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 thymidylate synthase 1.0647 0.816 1
Brugia malayi dihydrofolate reductase family protein 0.616 0.4698 0.5755
Chlamydia trachomatis dihydrofolate reductase 0.616 0.4698 0.5
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.021 0.0106 0.0125
Echinococcus granulosus selenide water dikinase 0.0131 0.0045 0.0051
Plasmodium vivax selenophosphate synthetase, putative 0.0131 0.0045 0.0045
Schistosoma mansoni selinide water dikinase 0.0131 0.0045 0.0051
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 1.3032 1 1
Echinococcus multilocularis thymidylate synthase 1.0647 0.816 1
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0256 0.0141 0.0169
Trypanosoma brucei Selenophosphate synthetase 2 0.0131 0.0045 0.0041
Toxoplasma gondii selenide, water dikinase 0.0131 0.0045 0.0041
Trypanosoma brucei folylpolyglutamate synthase, putative 0.021 0.0106 0.0102
Brugia malayi hypothetical protein 0.5065 0.3852 0.4719
Loa Loa (eye worm) dihydrofolate reductase 0.616 0.4698 0.5755
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 1.3032 1 1
Brugia malayi Dihydrofolate reductase 0.616 0.4698 0.5755
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0388 0.0243 0.0293
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.021 0.0106 0.0125
Onchocerca volvulus 0.0388 0.0243 0.017
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 1.0647 0.816 1
Treponema pallidum folylpolyglutamate synthetase (folC) 0.021 0.0106 0.5
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.1757 0.1299 0.1589
Leishmania major folylpolyglutamate synthetase 0.021 0.0106 0.0102
Echinococcus multilocularis 0.0131 0.0045 0.0051
Trypanosoma cruzi selenophosphate synthetase, putative 0.0131 0.0045 0.0041
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.616 0.4698 0.5755
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.021 0.0106 0.0106
Wolbachia endosymbiont of Brugia malayi phosphoribosylformylglycinamidine synthase domain-containing protein 0.0131 0.0045 0.0319
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0388 0.0243 0.0298
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.616 0.4698 0.5757
Echinococcus granulosus dihydrofolate reductase 0.616 0.4698 0.5755
Loa Loa (eye worm) thymidylate synthase 1.0647 0.816 1
Mycobacterium leprae PROBABLE THIAMINE-MONOPHOSPHATE KINASE THIL (THIAMINE-PHOSPHATE KINASE) 0.0079 0.0004 0.0001
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.5065 0.3852 0.385
Onchocerca volvulus 1.0647 0.816 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.616 0.4698 0.5755
Trichomonas vaginalis conserved hypothetical protein 0.5065 0.3852 1
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.021 0.0106 0.0106
Brugia malayi FolC bifunctional protein 0.021 0.0106 0.0125
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0131 0.0045 0.0055
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 1.0647 0.816 1
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.021 0.0106 0.0102
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.021 0.0106 0.0125
Echinococcus granulosus thymidylate synthase 1.0647 0.816 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 1.3032 1 1
Schistosoma mansoni folylpolyglutamate synthase 0.021 0.0106 0.0125
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0388 0.0243 0.0293
Trypanosoma cruzi folylpolyglutamate synthetase 0.021 0.0106 0.0102
Trypanosoma brucei pteridine reductase 1 0.0211 0.0107 0.0103
Schistosoma mansoni dihydrofolate reductase 0.616 0.4698 0.5755
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.021 0.0106 0.0102
Onchocerca volvulus 0.0309 0.0182 0.0095
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.021 0.0106 0.0125
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 1.3032 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0078 0.0004 0.0004
Echinococcus multilocularis dihydrofolate reductase 0.616 0.4698 0.5755
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.1757 0.1299 1
Leishmania major pteridine reductase 1 0.0214 0.0109 0.0105
Leishmania major selenophosphate synthetase, putative 0.0131 0.0045 0.0041
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.021 0.0106 0.0125
Mycobacterium ulcerans thymidylate synthase 1.0647 0.816 1
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.1757 0.1299 0.1592
Mycobacterium tuberculosis Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II) 0.0131 0.0045 0.0051
Plasmodium falciparum selenide water dikinase, putative 0.0131 0.0045 0.0045
Brugia malayi selenium donor protein 0.0131 0.0045 0.0051
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.021 0.0106 0.0125
Mycobacterium tuberculosis Hypothetical protein 0.5065 0.3852 0.4719
Trypanosoma cruzi selenophosphate synthetase, putative 0.0131 0.0045 0.0041
Mycobacterium ulcerans thiamine monophosphate kinase 0.0079 0.0004 0.0005
Loa Loa (eye worm) selenium donor protein 0.0131 0.0045 0.0051
Loa Loa (eye worm) FolC protein 0.021 0.0106 0.0125
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0131 0.0045 0.0051
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 1.0647 0.816 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 1.3032 1 1
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.021 0.0106 0.0129
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0388 0.0243 0.1846

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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