Detailed information for compound 218108

Basic information

Technical information
  • TDR Targets ID: 218108
  • Name: 2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-y l]ethyl]-5-nitroisoindole-1,3-dione
  • MW: 427.881 | Formula: C22H22ClN3O4
  • H donors: 0 H acceptors: 4 LogP: 3.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN1CCC(CC1)CCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2
  • InChiKey: CLCFZEJHDXQFNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[1-[(4-chlorophenyl)methyl]-4-piperidyl]ethyl]-5-nitro-isoindoline-1,3-dione
  • 2-[2-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]ethyl]-5-nitroisoindoline-1,3-dione
  • 2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-5-nitro-isoindole-1,3-dione
  • 2-[2-[1-(4-chlorobenzyl)-4-piperidyl]ethyl]-5-nitro-isoindoline-1,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus acetylcholinesterase Starlite/ChEMBL References
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase 614 aa 507 aa 26.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glucose transporter 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Toxoplasma gondii facilitative glucose transporter GT1 0.011 0.2253 0.3408
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0606 0.8651
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0466 0.1363
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0399 0.1167
Leishmania major hypothetical protein, conserved 0.0015 0.0201 0.2874
Trichomonas vaginalis sugar transport protein, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis General substrate transporter 0.0095 0.1918 0.5613
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0466 0.2066
Trypanosoma brucei glucose transporter 2A 0.0034 0.0606 0.8651
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.011 0.2253 0.6596
Loa Loa (eye worm) hypothetical protein 0.0033 0.0582 0.1704
Onchocerca volvulus 0.0028 0.0466 1
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0606 0.269
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0201 0.059
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Schistosoma mansoni gliotactin 0.0028 0.0466 0.1363
Loa Loa (eye worm) hypothetical protein 0.0164 0.3416 1
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.059
Brugia malayi major facilitator superfamily protein 0.0015 0.0201 0.059
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0701 0.106
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0597 0.0597
Leishmania major glucose transporter, lmgt1 0.0034 0.0606 0.8651
Plasmodium falciparum mitogen-activated protein kinase 2 0.0178 0.3724 0.3724
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0606 0.269
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0201 0.059
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0597 0.2648
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.059
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0399 0.0603
Toxoplasma gondii protein kinase, putative 0.0311 0.6612 1
Leishmania major glucose transporter, lmgt3 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Brugia malayi hypothetical protein 0.0015 0.0201 0.059
Echinococcus granulosus General substrate transporter 0.0095 0.1918 0.5613
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3416 1
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0399 0.1167
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0466 0.1363
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0466 0.1363
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0318 0.5469
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0606 0.269
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0178 0.3724 0.5632
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0015 0.0201 0.2874
Onchocerca volvulus 0.0028 0.0466 1
Schistosoma mansoni hypothetical protein 0.011 0.2253 0.6596
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.059
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0012 0.0119 0.2549
Loa Loa (eye worm) sugar transporter 0.0015 0.0201 0.059
Echinococcus multilocularis neuroligin 0.0028 0.0466 0.1363
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0466 0.1363
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0466 0.2066
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0399 0.6849
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0201 0.4326
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0033 0.0582 0.1704
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0606 0.8651
Trypanosoma cruzi glucose transporter, putative 0.0015 0.0201 0.2874
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0033 0.0582 0.9752
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Loa Loa (eye worm) carboxylesterase 0.0028 0.0466 0.1363
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0399 0.8561
Loa Loa (eye worm) hypothetical protein 0.0034 0.0597 0.1747
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0606 0.269
Brugia malayi Carboxylesterase family protein 0.0028 0.0466 0.1363
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Schistosoma mansoni glucose transport protein 0.011 0.2253 0.6596
Loa Loa (eye worm) carboxylesterase 0.0028 0.0466 0.1363
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0318 0.6836
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0399 0.1167
Leishmania major glucose transporter, lmgt2 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.059
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Leishmania major protein kinase, putative 0.0034 0.0597 0.8517
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0015 0.0201 0.4326
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0582 0.1704
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0606 0.8651
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0399 0.5689
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0597 0.0597
Brugia malayi hypothetical protein 0.0015 0.0201 0.059
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0399 0.6849
Brugia malayi Carboxylesterase family protein 0.0164 0.3416 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0399 0.1769
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0597 0.0597
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0597 0.0903
Plasmodium vivax sugar transporter, putative 0.0015 0.0201 0.0201
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0597 0.0597
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Brugia malayi hypothetical protein 0.0015 0.0201 0.059
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0178 0.3724 0.3724
Mycobacterium tuberculosis Carboxylesterase LipT 0.0028 0.0466 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0201 0.4326
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0201 1
Schistosoma mansoni acetylcholinesterase 0.0028 0.0466 0.1363
Echinococcus granulosus neuroligin 0.0028 0.0466 0.1363
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0597 0.1747
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Loa Loa (eye worm) carboxylesterase 0.0164 0.3416 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Leishmania major myo-inositol/proton symporter (MIT) 0.0015 0.0201 0.2874
Trichomonas vaginalis glucose transporter, putative 0.0015 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Schistosoma mansoni glucose transport protein 0.011 0.2253 0.6596
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.3416 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Trypanosoma cruzi sugar transporter, putative 0.0015 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Plasmodium vivax CDK-related protein kinase 6, putative 0.0467 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0399 0.1167
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0466 0.1363
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0399 0.1167
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Trypanosoma cruzi hexose transporter, putative 0.0015 0.0201 0.2874
Trichomonas vaginalis myo-inositol transporter, putative 0.0015 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0606 0.8651
Trypanosoma cruzi hexose transporter 0.0034 0.0606 0.8651
Brugia malayi Sugar transporter family protein 0.011 0.2253 0.6596
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0606 0.269
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Brugia malayi Cam kinase protein 1 0.0034 0.0597 0.1747
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0597 0.8517
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0606 0.8651
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0033 0.0582 0.1704
Trichomonas vaginalis conserved hypothetical protein 0.011 0.2253 1
Entamoeba histolytica protein kinase, putative 0.0034 0.0597 1
Toxoplasma gondii sugar transporter ST1 0.0015 0.0201 0.0305
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0399 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Giardia lamblia Sugar-proton symporter 0.0015 0.0201 0.346
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0701 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.3416 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0033 0.0582 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0597 0.0597
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0466 1
Echinococcus granulosus carboxylesterase 5A 0.0164 0.3416 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Plasmodium vivax hexose transporter 0.011 0.2253 0.2253
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0399 0.0399
Toxoplasma gondii transporter, major facilitator family protein 0.0015 0.0201 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0033 0.0582 0.2583
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0552 0.1615
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Mycobacterium ulcerans sugar transporter 0.0015 0.0201 0.4326
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.059
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0466 0.1363
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.3416 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.059
Brugia malayi Carboxylesterase family protein 0.0028 0.0466 0.1363
Schistosoma mansoni protein kinase 0.0034 0.0597 0.1747
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0606 0.8651
Trypanosoma brucei glucose transporter, putative 0.0034 0.0606 0.8651
Brugia malayi Carboxylesterase family protein 0.0164 0.3416 1
Trypanosoma brucei glucose transporter 1E 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0466 0.1363
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0033 0.0582 0.1704
Schistosoma mansoni protein kinase 0.0034 0.0597 0.1747
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.059
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0466 1
Plasmodium falciparum hexose transporter 0.011 0.2253 0.2253
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.3416 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0597 0.1747
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0701 0.0701
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.059
Brugia malayi Sugar transporter family protein 0.0015 0.0201 0.059
Loa Loa (eye worm) sugar transporter 0.011 0.2253 0.6596
Schistosoma mansoni sugar transporter 0.0015 0.0201 0.059
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0701 0.0701
Echinococcus granulosus acetylcholinesterase 0.0164 0.3416 1
Plasmodium falciparum protein kinase 7 0.0311 0.6612 0.6612
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0701 1
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0597 0.1747
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0015 0.0201 0.0201
Entamoeba histolytica protein kinase, putative 0.0034 0.0597 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0597 0.1747
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3416 1
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0201 0.4326
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0333 0.1477
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0019 0.027 0.386
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0466 0.1363
Brugia malayi Carboxylesterase family protein 0.0028 0.0466 0.1363
Brugia malayi major facilitator superfamily protein 0.0015 0.0201 0.059
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.016 0.0468
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0597 0.0903
Chlamydia trachomatis proline--tRNA ligase 0.0012 0.0119 0.2978
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0466 0.1363
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.059
Echinococcus granulosus acetylcholinesterase 0.0164 0.3416 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0201 0.059
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0399 0.8561
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Giardia lamblia Hexose transporter 0.0015 0.0201 0.346
Brugia malayi hypothetical protein 0.0028 0.0466 0.1363
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0201 0.059
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0201 0.059
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0552 0.1615
Mycobacterium ulcerans carboxylesterase, LipT 0.0028 0.0466 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0597 0.0903
Onchocerca volvulus 0.0028 0.0466 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0466 0.1363
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0033 0.0582 0.1704
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0597 0.1747
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Entamoeba histolytica hypothetical protein 0.0025 0.0399 0.6679
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0027 0.0448 0.131
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0399 0.1167
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0597 0.0597
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0015 0.0201 0.4326
Onchocerca volvulus 0.0028 0.0466 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0466 0.1363
Brugia malayi Sugar transporter family protein 0.0015 0.0201 0.059
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0606 0.269
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0318 0.6836
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0033 0.0582 0.1704
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.011 0.2253 0.6596
Toxoplasma gondii sugar transporter ST2 0.0015 0.0201 0.0305
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Treponema pallidum prolyl-tRNA synthetase 0.0012 0.0119 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0201 0.059
Schistosoma mansoni protein kinase 0.0034 0.0597 0.1747
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0399 0.5689
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.059
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0597 0.0597
Echinococcus granulosus solute carrier family 22 0.0015 0.0201 0.059
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0466 0.1363
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0399 0.5689
Trypanosoma brucei sugar transporter, putative 0.0015 0.0201 0.2874
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Onchocerca volvulus 0.0028 0.0466 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0466 0.1363
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.011 0.2253 0.6596
Echinococcus multilocularis solute carrier family 22 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Trichomonas vaginalis sugar transporter, putative 0.0015 0.0201 0.0894
Toxoplasma gondii sugar transporter ST3 0.0015 0.0201 0.0305
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0701 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0582 0.1704
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0597 0.1747
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0015 0.0201 0.059
Giardia lamblia Prolyl-tRNA synthetase 0.0033 0.0582 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.38 Inhibition against Acetylcholinesterase (AChE) ChEMBL. 8558505
IC50 (binding) = 240 nM In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate. ChEMBL. 1469686
IC50 (binding) = 240 nM In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate. ChEMBL. 1469686
IC50 (binding) = 240 nM Inhibition of AChE ChEMBL. 20053484
Log IC50 (binding) = 2.38 Inhibition against Acetylcholinesterase (AChE) ChEMBL. 8558505

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

3 literature references were collected for this gene.

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