Detailed information for compound 1891726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 168.622 | Formula: C5H13ClN2O2
  • H donors: 3 H acceptors: 2 LogP: -2.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)O)(CCN)N.Cl
  • InChi: 1S/C5H12N2O2.ClH/c1-5(7,2-3-6)4(8)9;/h2-3,6-7H2,1H3,(H,8,9);1H
  • InChiKey: FMNGXVBRZDFQKX-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
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.4778
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.4778
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Schistosoma mansoni protein kinase 0.0032 0.0494 0.1725
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.5894
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.025 0.0457
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0495 0.0415
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0084 0.2954
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.025 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.4778
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0495 0.0633
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.0837
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0494 0.198
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0283 0.0307
Leishmania major glucose transporter, lmgt3 0.0032 0.0493 0.4778
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.025 0.0802
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.025 0.1943
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0494 0.1725
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Loa Loa (eye worm) hypothetical protein 0.0031 0.0468 0.1159
Onchocerca volvulus 0.005 0.094 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0283 0.3046
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.025 0.8836
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0438 0.1707
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0588 0.0509
Schistosoma mansoni glucose transport protein 0.0102 0.2158 0.8713
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0495 0.0633
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0588 0.5894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.4778
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0283 0.2328
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.025 0.0802
Loa Loa (eye worm) hypothetical protein 0.0053 0.1003 0.2612
Trichomonas vaginalis CMGC family protein kinase 0.005 0.094 0.4129
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0468 0.1855
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0494 0.123
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0974 0.2534
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0283 0.2328
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0974 0.4295
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0.094 0.0864
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0084 0.2954
Schistosoma mansoni ap endonuclease 0.0021 0.025 0.0699
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0495 0.0415
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.025 0.0566
Toxoplasma gondii exonuclease III APE 0.0021 0.025 0.0256
Leishmania major glucose transporter, lmgt1 0.0032 0.0493 0.4778
Leishmania major glucose transporter, lmgt2 0.0032 0.0493 0.4778
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0495 0.0415
Brugia malayi latrophilin 2 splice variant baaae 0.0115 0.2464 0.6541
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0114
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0053 0.1003 0.4433
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.025 0.1943
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.025 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Echinococcus granulosus protein kinase shaggy 0.005 0.094 0.4129
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0494 0.1129
Schistosoma mansoni hypothetical protein 0.0053 0.1003 0.3863
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0202 0.71
Entamoeba histolytica protein kinase domain containing protein 0.005 0.094 1
Schistosoma mansoni hypothetical protein 0.0115 0.2464 1
Trypanosoma brucei protein kinase, putative 0.005 0.094 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.025 0.0168
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Plasmodium falciparum hexose transporter 0.0102 0.2158 0.2092
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0495 0.0633
Plasmodium vivax CDK-related protein kinase 6, putative 0.0432 1 1
Entamoeba histolytica hypothetical protein 0.0023 0.0283 0.0477
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0283 0.2328
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0283 0.0961
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0283 0.0961
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.5894
Trypanosoma brucei glucose transporter 1E 0.0032 0.0493 0.4778
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0468 0.1855
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0283 0.0201
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0974 0.2448
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.025 0.0802
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.005 0.094 0.4129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0974 0.3742
Leishmania major protein kinase, putative 0.0032 0.0494 0.4796
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0588 0.5894
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0494 0.123
Schistosoma mansoni hypothetical protein 0.0053 0.1003 0.3863
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.2158 0.3196
Giardia lamblia Kinase, CMGC GSK 0.005 0.094 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0168 0.3723 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0974 0.3742
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0283 0.0961
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0494 0.4796
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0974 0.4295
Mycobacterium ulcerans sugar transporter 0.0014 0.0084 0.2954
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0468 0.1057
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0468 0.4493
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0495 0.0415
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.0837
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.025 0.1943
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Plasmodium falciparum glycogen synthase kinase 3 0.005 0.094 0.0864
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0283 0.0548
Loa Loa (eye worm) hypothetical protein 0.0031 0.0468 0.1159
Brugia malayi Sugar transporter family protein 0.0102 0.2158 0.5699
Schistosoma mansoni hypothetical protein 0.0053 0.1003 0.3863
Brugia malayi Calcitonin receptor-like protein seb-1 0.0168 0.3723 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0494 0.3541
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.1003 0.4433
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0588 0.0778
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0974 0.4295
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0495 0.0415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0974 0.4295
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0468 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0168 0.3723 1
Schistosoma mansoni hypothetical protein 0.0102 0.2158 0.8713
Loa Loa (eye worm) hypothetical protein 0.0023 0.0283 0.0656
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0.094 1
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0283 0.2328
Schistosoma mansoni protein kinase 0.0032 0.0494 0.1725
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Brugia malayi Cam kinase protein 1 0.0032 0.0494 0.1129
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0495 0.0415
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0283 0.0201
Echinococcus multilocularis General substrate transporter 0.0087 0.1819 0.8364
Entamoeba histolytica protein kinase, putative 0.0032 0.0494 0.3541
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0114
Echinococcus granulosus General substrate transporter 0.0087 0.1819 0.8364
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0438 0.1707
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Plasmodium vivax hexose transporter 0.0102 0.2158 0.2092
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.094 0.2441
Loa Loa (eye worm) hypothetical protein 0.0032 0.0494 0.123
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0053 0.1003 0.4433
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0495 0.0415
Entamoeba histolytica protein kinase domain containing protein 0.005 0.094 1
Brugia malayi Latrophilin receptor protein 2 0.0053 0.1003 0.2527
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0494 0.198
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0588 0.5894
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0493 0.4778
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Echinococcus granulosus glycogen synthase kinase 3 beta 0.005 0.094 0.4129
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.3656 0.3602
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.2158 1
Echinococcus multilocularis GPCR, family 2 0.0053 0.1003 0.4433
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.025 0.0802
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.3656 0.3602
Entamoeba histolytica protein kinase, putative 0.005 0.094 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.1003 0.2527
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.025 0.1943
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0468 0.1057
Loa Loa (eye worm) hypothetical protein 0.0025 0.0333 0.0791
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.2158 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.1003 0.2612
Toxoplasma gondii protein kinase, putative 0.0288 0.6575 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.3656 0.5503
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.1003 0.4433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0974 0.3742
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.025 0.1943
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.3723 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0217 0.0641
Trichomonas vaginalis CMGC family protein kinase 0.005 0.094 0.4129
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0202 0.71
Trypanosoma brucei glucose transporter 2A 0.0032 0.0493 0.4778
Giardia lamblia Kinase, CMGC GSK 0.005 0.094 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Loa Loa (eye worm) hypothetical protein 0.0115 0.2464 0.658
Loa Loa (eye worm) sugar transporter 0.0014 0.0084 0.0114
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0153 0.0815
Schistosoma mansoni glucose transport protein 0.0102 0.2158 0.8713
Schistosoma mansoni hypothetical protein 0.0053 0.1003 0.3863
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0495 0.0415
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0084 0.2954
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.4778
Trypanosoma cruzi hexose transporter 0.0032 0.0493 0.4778
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.025 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0468 0.3164
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0.094 0.1319
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.025 0.0168
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.094 0.2441
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.4778
Schistosoma mansoni glucose transport protein 0.0102 0.2158 0.8713
Schistosoma mansoni protein kinase 0.0032 0.0494 0.1725
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0283 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0468 0.1616
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.005 0.094 0.3597
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0494 0.198
Plasmodium falciparum protein kinase 7 0.0288 0.6575 0.6546
Brugia malayi intracellular kinase 0.005 0.094 0.2353
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0588 0.0509
Loa Loa (eye worm) sugar transporter 0.0102 0.2158 0.5748
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0.094 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.4778
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0468 0.1855
Schistosoma mansoni ap endonuclease 0.0021 0.025 0.0699
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0495 0.0415
Echinococcus multilocularis protein kinase shaggy 0.005 0.094 0.4129
Echinococcus granulosus GPCR family 2 0.0053 0.1003 0.4433
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0468 0.1616
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0114

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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