Detailed information for compound 705394

Basic information

Technical information
  • TDR Targets ID: 705394
  • Name: 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-m ethoxyphenyl)acetamide
  • MW: 331.433 | Formula: C17H21N3O2S
  • H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CSc1nccn1C1CCCC1
  • InChi: 1S/C17H21N3O2S/c1-22-15-8-4-5-13(11-15)19-16(21)12-23-17-18-9-10-20(17)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,19,21)
  • InChiKey: BPAYUWDARSWWSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(1-cyclopentyl-2-imidazolyl)thio]-N-(3-methoxyphenyl)acetamide
  • 2-[(1-cyclopentylimidazol-2-yl)thio]-N-(3-methoxyphenyl)acetamide
  • 2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-methoxyphenyl)ethanamide
  • G877-0018
  • NCGC00137657-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Trichomonas vaginalis glucose transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica hypothetical protein 0.0038 0.0288 0.2522
Plasmodium falciparum hexose transporter 0.0216 0.2252 0.2252
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0492 0.2185
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Mycobacterium tuberculosis Conserved protein 0.0036 0.0264 0.1095
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0492 0.4317
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0065 0.0582 0.2583
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0027 0.016 0.0709
Trypanosoma cruzi metacaspase 5, putative 0.0018 0.0067 0.0591
Plasmodium falciparum calcium-dependent protein kinase 2 0.0067 0.0602 0.0602
Entamoeba histolytica hypothetical protein 0.0038 0.0288 0.2522
Mycobacterium ulcerans integral membrane transport protein 0.003 0.0201 0.1766
Echinococcus granulosus General substrate transporter 0.0186 0.1917 0.851
Trypanosoma brucei protein kinase, putative 0.0057 0.0492 0.4317
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0492 0.2185
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.0201 0.0894
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0048 0.0398 0.3495
Brugia malayi Sugar transporter family protein 0.0216 0.2252 1
Trichomonas vaginalis sugar transporter, putative 0.0067 0.0606 0.269
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0067 0.0602 0.0602
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1185 0.5261
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.035 0.3727 0.3727
Giardia lamblia Lysyl-tRNA synthetase 0.0048 0.0398 0.6849
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.021 0.1842
Schistosoma mansoni protein kinase 0.0067 0.0602 0.2672
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii protein kinase, putative 0.0611 0.6614 1
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0115 0.114 1
Trypanosoma cruzi metacaspase, putative 0.0018 0.0067 0.0591
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0264 0.117
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0492 0.2185
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.021 0.021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0408 0.1812
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Toxoplasma gondii sugar transporter ST3 0.003 0.0201 0.0304
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.035 0.3727 0.5636
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0288 0.1277
Brugia malayi phosphofructokinase 0.0115 0.114 0.5062
Schistosoma mansoni protein kinase 0.0067 0.0602 0.2672
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.114 0.5062
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0264 0.2312
Echinococcus multilocularis calcium dependent protein kinase 0.0062 0.0551 0.2448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0408 0.1812
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.021 0.1842
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.021 0.0933
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0067 0.0602 0.0911
Onchocerca volvulus 0.0036 0.0264 0.1856
Schistosoma mansoni glucose transport protein 0.0216 0.2252 1
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.021 0.3611
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.0492 0.8461
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Plasmodium vivax proline--tRNA ligase, putative 0.0076 0.07 0.07
Brugia malayi 6-phosphofructokinase 0.0115 0.114 0.5062
Brugia malayi 6-phosphofructokinase 0.0115 0.114 0.5062
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0065 0.0582 0.2583
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 3 0.0067 0.0602 0.0602
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0065 0.0582 0.2583
Trypanosoma brucei metacaspase 0.0018 0.0067 0.0591
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.114 1
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Trypanosoma brucei Metacaspase-4 0.0018 0.0067 0.0591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0408 0.1812
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0288 0.1277
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0492 0.4317
Schistosoma mansoni glucose transport protein 0.0216 0.2252 1
Plasmodium falciparum proline--tRNA ligase 0.0076 0.07 0.07
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0041 0.0318 0.1321
Plasmodium vivax CDK-related protein kinase 6, putative 0.0917 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0408 0.1812
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0264 0.117
Treponema pallidum prolyl-tRNA synthetase 0.0023 0.0119 0.1041
Schistosoma mansoni hypothetical protein 0.0038 0.0288 0.1277
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1185 0.5261
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0264 0.2312
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0264 0.117
Echinococcus multilocularis caspase 8 0.0018 0.0067 0.0299
Trypanosoma brucei sugar transporter, putative 0.003 0.0201 0.1766
Plasmodium falciparum calcium-dependent protein kinase 4 0.0067 0.0602 0.0602
Giardia lamblia Prolyl-tRNA synthetase 0.0065 0.0582 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica hypothetical protein 0.0038 0.0288 0.2522
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0264 0.117
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Toxoplasma gondii ABC1 family protein 0.0036 0.0264 0.0399
Plasmodium vivax sugar transporter, putative 0.003 0.0201 0.0201
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Brugia malayi Cell death protein 3 precursor 0.0061 0.0537 0.2384
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Plasmodium falciparum mitogen-activated protein kinase 2 0.035 0.3727 0.3727
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.0318 0.1321
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0492 0.4317
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0492 0.4317
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Giardia lamblia Hexose transporter 0.003 0.0201 0.346
Mycobacterium ulcerans hypothetical protein 0.0036 0.0264 0.2312
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0894
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0067 0.0067
Leishmania major hypothetical protein, conserved 0.0036 0.0264 0.2312
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0264 0.1095
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Toxoplasma gondii facilitative glucose transporter GT1 0.0216 0.2252 0.3405
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0048 0.0398 0.3495
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0076 0.07 0.6143
Schistosoma mansoni caspase-3 (C14 family) 0.0018 0.0067 0.0299
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0264 0.117
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0201 0.0304
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0067 0.0602 0.0911
Trypanosoma cruzi hexose transporter, putative 0.0067 0.0606 0.5314
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter 2A 0.0067 0.0606 0.5314
Brugia malayi MAP kinase sur-1 0.0057 0.0492 0.2185
Schistosoma mansoni caspase-7 (C14 family) 0.0018 0.0067 0.0299
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus lysyl tRNA synthetase 0.0048 0.0398 0.1769
Leishmania major glucose transporter, lmgt2 0.0067 0.0606 0.5314
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0067 0.0602 0.2672
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0606 0.269
Trypanosoma cruzi hexose transporter, putative 0.0067 0.0606 0.5314
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0264 0.1095
Echinococcus granulosus calcium dependent protein kinase 0.0062 0.0551 0.2448
Brugia malayi MH2 domain containing protein 0.0119 0.1185 0.5261
Trypanosoma cruzi metacaspase, putative 0.0018 0.0067 0.0591
Trypanosoma brucei metacaspase 5, putative 0.0018 0.0067 0.0591
Loa Loa (eye worm) hypothetical protein 0.0018 0.0067 0.0299
Plasmodium falciparum lysine--tRNA ligase 0.0048 0.0398 0.0398
Leishmania major glucose transporter, lmgt1 0.0067 0.0606 0.5314
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis esterase, putative 0.0036 0.0264 0.117
Echinococcus multilocularis General substrate transporter 0.0186 0.1917 0.851
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.021 0.0318
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0264 0.1095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0408 0.1812
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0067 0.0602 0.0911
Echinococcus multilocularis lysyl tRNA synthetase 0.0048 0.0398 0.1769
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Onchocerca volvulus Cell death protein 3 homolog 0.0061 0.0537 1
Leishmania major metacaspase, putative 0.0018 0.0067 0.0591
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0018 0.0067 0.0299
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0264 0.117
Schistosoma mansoni hypothetical protein 0.0043 0.0335 0.1489
Trichomonas vaginalis CAMK family protein kinase 0.0067 0.0602 0.2672
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.0201 0.0836
Echinococcus granulosus apoptotic protease activating factor 1 0.0043 0.0335 0.1489
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0492 0.2185
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0398 0.3495
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0076 0.07 0.1059
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.114 0.5062
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.114 0.5062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0408 0.1812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0335 0.1489
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0408 0.1812
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0264 0.2312
Plasmodium falciparum metacaspase 1 0.0018 0.0067 0.0067
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0067 0.0602 0.0602
Trypanosoma cruzi metacaspase, putative 0.0018 0.0067 0.0591
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0065 0.0582 0.2583
Trichomonas vaginalis glucose transporter, putative 0.0067 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0067 0.0602 0.2672
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0264 0.117
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Trichomonas vaginalis conserved hypothetical protein 0.0216 0.2252 1
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0067 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0048 0.0398 0.1769
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0018 0.0067 0.0299
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.021 0.5272
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.021 0.0318
Onchocerca volvulus 0.0036 0.0264 0.1856
Toxoplasma gondii sugar transporter ST2 0.003 0.0201 0.0304
Leishmania major ATP-dependent phosphofructokinase 0.0115 0.114 1
Echinococcus granulosus caspase 2 0.0061 0.0537 0.2384
Toxoplasma gondii sugar transporter ST1 0.003 0.0201 0.0304
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0264 0.1095
Plasmodium vivax lysine--tRNA ligase, putative 0.0048 0.0398 0.0398
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.114 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0264 0.1095
Mycobacterium ulcerans sugar transporter 0.003 0.0201 0.1766
Schistosoma mansoni hypothetical protein 0.0216 0.2252 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Entamoeba histolytica protein kinase, putative 0.0067 0.0602 0.5278
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.114 0.5062
Loa Loa (eye worm) sugar transporter 0.003 0.0201 0.0894
Brugia malayi hypothetical protein 0.0038 0.0288 0.1277
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0894
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.0318 0.279
Giardia lamblia Sugar-proton symporter 0.003 0.0201 0.346
Loa Loa (eye worm) phosphofructokinase 0.0115 0.114 0.5062
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0076 0.07 0.6143
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.114 0.5062
Plasmodium falciparum protein kinase 7 0.0611 0.6614 0.6614
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Loa Loa (eye worm) sugar transporter 0.0216 0.2252 1
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0067 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0492 0.2185
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Entamoeba histolytica protein kinase, putative 0.0067 0.0602 0.5278
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0264 0.117
Brugia malayi beta-lactamase family protein 0.0036 0.0264 0.117
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0492 0.2185
Schistosoma mansoni caspase-7 (C14 family) 0.0061 0.0537 0.2384
Trypanosoma brucei metacaspase MCA2 0.0018 0.0067 0.0591
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Brugia malayi Cam kinase protein 1 0.0067 0.0602 0.2672
Loa Loa (eye worm) hypothetical protein 0.0065 0.0582 0.2583
Trichomonas vaginalis sugar transport protein, putative 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Leishmania major protein kinase, putative 0.0067 0.0602 0.5278
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0076 0.07 0.6143
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0492 0.0744
Echinococcus granulosus caspase 8 0.0018 0.0067 0.0299
Brugia malayi beta-lactamase family protein 0.0036 0.0264 0.117
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0216 0.2252 1
Trypanosoma cruzi hexose transporter, putative 0.003 0.0201 0.1766
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0216 0.2252 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter 0.0067 0.0606 0.5314
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.114 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0492 0.4317
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0067 0.0602 0.2672
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Mycobacterium leprae Probable lipase LipE 0.0036 0.0264 0.2312
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Leishmania major lysyl-tRNA synthetase, putative 0.0048 0.0398 0.3495
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0264 0.1095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0408 0.1812
Plasmodium falciparum metacaspase-like protein 0.0018 0.0067 0.0067
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 1 0.0067 0.0602 0.0602
Schistosoma mansoni glucose transporter 0.003 0.0201 0.0894
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0115 0.114 0.4736
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.2408 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0264 0.2312
Leishmania major glucose transporter/membrane transporter D2, putative 0.0067 0.0606 0.5314
Trichomonas vaginalis myo-inositol transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0.0606 0.5314
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0.0606 0.5314
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.114 1
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0602 0.2672
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Trypanosoma brucei glucose transporter 1E 0.0067 0.0606 0.5314
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0606 0.269
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.0201 0.1766
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.114 0.5062
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0037 0.027 0.2371
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.0201 0.0836
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0398 0.3495
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0264 0.117
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0067 0.0299
Loa Loa (eye worm) hypothetical protein 0.0061 0.0537 0.2384
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.0201 0.0894
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0067 0.0102
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.003 0.0201 0.1766
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0067 0.0602 0.2672
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Leishmania major glucose transporter, lmgt3 0.0067 0.0606 0.5314
Trypanosoma cruzi sugar transporter, putative 0.003 0.0201 0.1766
Plasmodium falciparum calcium-dependent protein kinase 5 0.0067 0.0602 0.0602
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0333 0.1477
Chlamydia trachomatis lysine--tRNA ligase 0.0048 0.0398 1
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.114 0.5062
Plasmodium vivax calcium-dependent protein kinase, putative 0.0067 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.0201 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi metacaspase, putative 0.0018 0.0067 0.0591
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0264 0.1095
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.021 0.021
Trichomonas vaginalis glucose transporter, putative 0.0067 0.0606 0.269
Echinococcus multilocularis apoptotic protease activating factor 1 0.0043 0.0335 0.1489
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0067 0.0602 0.2672
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0076 0.07 0.6143
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0065 0.0582 0.2583
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0065 0.0582 0.5102
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0115 0.114 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0264 0.2312
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.021 0.5272
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0048 0.0398 0.1769
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0076 0.07 0.6143
Leishmania major hypothetical protein, conserved 0.003 0.0201 0.1766
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0288 0.1277
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.021 0.021
Echinococcus granulosus caspase 0.0018 0.0067 0.0299
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0048 0.0398 0.3495
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.021 0.0318
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0065 0.0582 0.5102
Brugia malayi beta-lactamase 0.0036 0.0264 0.117
Loa Loa (eye worm) beta-lactamase 0.0036 0.0264 0.117
Loa Loa (eye worm) hypothetical protein 0.0036 0.0264 0.117
Echinococcus multilocularis 6 phosphofructokinase 0.0115 0.114 0.5062
Entamoeba histolytica hypothetical protein 0.0038 0.0288 0.2522
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0.0606 0.5314
Mycobacterium ulcerans lipase LipD 0.0036 0.0264 0.2312
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0065 0.0582 0.2583
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0492 0.2185
Onchocerca volvulus 0.0036 0.0264 0.1856
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0492 0.4317
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0053 0.0447 0.1987
Plasmodium vivax hexose transporter 0.0216 0.2252 0.2252
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.0201 0.0894
Echinococcus granulosus 6 phosphofructokinase 0.0115 0.114 0.5062
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.114 0.5062
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0067 0.0606 0.269
Mycobacterium ulcerans 6-phosphofructokinase 0.0115 0.114 1
Entamoeba histolytica hypothetical protein 0.0048 0.0398 0.3495
Echinococcus multilocularis caspase 2 0.0061 0.0537 0.2384
Trypanosoma cruzi hexose transporter, putative 0.0067 0.0606 0.5314
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0018 0.0067 0.0102
Plasmodium vivax metacaspase 1, putative 0.0018 0.0067 0.0067
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0067 0.0602 0.2672
Toxoplasma gondii lysine-tRNA ligase 0.0048 0.0398 0.0602
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0067 0.0602 0.5278
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Trypanosoma cruzi metacaspase 5, putative 0.0018 0.0067 0.0591
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Chlamydia trachomatis proline--tRNA ligase 0.0023 0.0119 0.2978
Trypanosoma brucei metacaspase MCA3 0.0018 0.0067 0.0591
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0065 0.0582 0.2583
Trichomonas vaginalis sugar transporter, putative 0.0067 0.0606 0.269
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.0065 0.0582 0.2583
Mycobacterium ulcerans beta-lactamase 0.0036 0.0264 0.2312
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Mycobacterium tuberculosis Conserved protein 0.0036 0.0264 0.1095
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0492 0.2185
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.0201 0.1766
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Echinococcus multilocularis caspase 0.0018 0.0067 0.0299
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0264 0.117
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.114 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0408 0.1812
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0264 0.1095
Trypanosoma cruzi glucose transporter, putative 0.003 0.0201 0.1766
Brugia malayi hypothetical protein 0.0043 0.0335 0.1489
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0264 0.2312
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.021 0.0933
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0018 0.0067 0.0299
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0018 0.0067 0.0299
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Onchocerca volvulus 0.0043 0.0335 0.3993
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0264 0.117
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0492 0.2185
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0492 0.2185
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0018 0.0067 0.0299
Brugia malayi lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Trypanosoma brucei glucose transporter, putative 0.0067 0.0606 0.5314
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0067 0.0602 0.2672
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0216 0.2252 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.0492 0.4317
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0264 0.0264
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0023 0.0119 0.1041
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.0201 0.1766

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.