Detailed information for compound 1379394

Basic information

Technical information
  • TDR Targets ID: 1379394
  • Name: N-cyclohexyl-2-thieno[3,2-e]pyrimidin-4-yloxy acetamide
  • MW: 291.369 | Formula: C14H17N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCCC1)COc1ncnc2c1ccs2
  • InChi: 1S/C14H17N3O2S/c18-12(17-10-4-2-1-3-5-10)8-19-13-11-6-7-20-14(11)16-9-15-13/h6-7,9-10H,1-5,8H2,(H,17,18)
  • InChiKey: RPSGBDZWAZLRTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclohexyl-2-thieno[3,2-e]pyrimidin-4-yloxy-acetamide
  • N-cyclohexyl-2-(4-thieno[3,2-e]pyrimidinyloxy)acetamide
  • N-cyclohexyl-2-thieno[3,2-e]pyrimidin-4-yloxy-ethanamide
  • ZINC02664053
  • T5255653

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0043 0.0351 0.2177
Schistosoma mansoni hypothetical protein 0.0077 0.0699 0.2031
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0351 0.1269
Entamoeba histolytica hypothetical protein 0.0077 0.0699 1
Brugia malayi mbt repeat family protein 0.0046 0.0379 0.0906
Schistosoma mansoni hypothetical protein 0.0041 0.0327 0.095
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0379 0.1102
Onchocerca volvulus 0.0043 0.0343 0.212
Plasmodium vivax metacaspase 1, putative 0.0046 0.0375 1
Schistosoma mansoni hypothetical protein 0.0043 0.0343 0.0995
Mycobacterium ulcerans beta-lactamase 0.0043 0.0351 1
Schistosoma mansoni jumonji domain containing protein 0.0015 0.006 0.0173
Onchocerca volvulus 0.0043 0.0351 0.2177
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0124 0.1186 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0351 0.2589
Mycobacterium ulcerans lipase LipD 0.0043 0.0351 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0172 0.0996
Loa Loa (eye worm) hypothetical protein 0.0043 0.0343 0.0802
Mycobacterium tuberculosis Conserved protein 0.0043 0.0351 0.1269
Trypanosoma brucei Metacaspase-4 0.0046 0.0375 0.2801
Leishmania major importin beta-1 subunit, putative 0.0026 0.0172 0.0996
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0131
Loa Loa (eye worm) tumor suppressor 0.0358 0.3589 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0445 0.0445
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0215 0.044
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0175 0.4972
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0261 0.259 0.7169
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0351 0.9365
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.006 0.006
Toxoplasma gondii ABC1 family protein 0.0043 0.0351 0.9245
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0351 0.0351
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0175 0.4972
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0175 0.4972
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.006 0.006
Plasmodium falciparum metacaspase 1 0.0046 0.0375 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0106 0.0383
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0379 0.1102
Brugia malayi beta-lactamase family protein 0.0043 0.0351 0.0826
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0131
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0234 0.0234
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0351 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0175 0.0055
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0379 0.0835
Loa Loa (eye worm) MBCTL1 0.0053 0.0445 0.1093
Mycobacterium ulcerans hypothetical protein 0.0043 0.0351 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0175 0.0326
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0491 0.108
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0491 0.1425
Trypanosoma brucei metacaspase 0.0046 0.0375 0.2801
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0095 0.0343
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.1186 1
Schistosoma mansoni caspase-7 (C14 family) 0.0088 0.0815 0.2366
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2767 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0099 0.0112
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0375 1
Onchocerca volvulus 0.0156 0.1516 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0445 0.0981
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0201 0.5
Echinococcus granulosus caspase 8 0.0046 0.0375 0.0825
Echinococcus granulosus phd:f box containing protein 0.0015 0.006 0.0131
Brugia malayi jmjC domain containing protein 0.0057 0.0491 0.1221
Onchocerca volvulus 0.0046 0.0379 0.2368
Trypanosoma brucei hypothetical protein 0.0124 0.1186 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0327 0.0758
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0175 0.0326
Schistosoma mansoni phd/f-box containing protein 0.0015 0.006 0.0173
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.006 0.0131
Echinococcus multilocularis caspase 0.0121 0.1151 0.1151
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0445 0.1294
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0445 0.0445
Echinococcus multilocularis phd:f box containing protein 0.0015 0.006 0.006
Mycobacterium leprae Probable lipase LipE 0.0043 0.0351 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0351 0.9365
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0445 0.0981
Onchocerca volvulus 0.0026 0.0175 0.0991
Echinococcus granulosus caspase 2 0.0088 0.0815 0.1794
Schistosoma mansoni protein phosphatase 2C 0.0015 0.006 0.0173
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0172 0.4579
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0379 0.1102
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0351 0.1269
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0175 0.1022
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0121 0.1151 0.1151
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0699 0.1539
Brugia malayi Cell death protein 3 precursor 0.0088 0.0815 0.2139
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0106 0.147
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0351 0.1269
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0131
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0524 0.1315
Loa Loa (eye worm) hypothetical protein 0.0032 0.0234 0.0495
Brugia malayi hypothetical protein 0.003 0.0215 0.044
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0201 0.537
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0106 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0379 0.2368
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0351 0.9365
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0351 0.9365
Loa Loa (eye worm) hypothetical protein 0.003 0.0215 0.044
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0491 0.1425
Echinococcus granulosus protein quaking 0.003 0.0215 0.0473
Loa Loa (eye worm) hypothetical protein 0.0026 0.0175 0.0326
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0351 0.2589
Schistosoma mansoni hypothetical protein 0.0205 0.2013 0.5846
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.0288
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0175 0.4972
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0491 0.1221
Echinococcus granulosus GPCR family 2 0.0019 0.0099 0.0218
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0099 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0524 0.1315
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0046 0.0375 0.1089
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0351 0.2589
Entamoeba histolytica hypothetical protein 0.0077 0.0699 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0175 0.0631
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.1781 0.1781
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.006 0.0173
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0379 0.0835
Brugia malayi Importin beta-1 subunit 0.0032 0.0234 0.0495
Echinococcus multilocularis GPCR, family 2 0.0019 0.0099 0.0099
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0379 0.0379
Trypanosoma cruzi metacaspase, putative 0.0046 0.0375 0.2801
Brugia malayi hypothetical protein 0.0156 0.1516 0.4125
Loa Loa (eye worm) hypothetical protein 0.006 0.0524 0.1315
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0124 0.1186 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Brugia malayi hypothetical protein 0.0043 0.0343 0.0802
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0234 0.1553
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0175 0.4972
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Onchocerca volvulus 0.0043 0.0351 0.2177
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Echinococcus granulosus snurportin 1 0.0343 0.3443 0.758
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0201 0.1259
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.006 0.006
Brugia malayi tumor suppressor. 0.0358 0.3589 1
Echinococcus multilocularis neuropeptide s receptor 0.045 0.4542 0.4542
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0201 0.1259
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0375 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0699 0.0699
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.0288
Loa Loa (eye worm) beta-lactamase 0.0043 0.0351 0.0826
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0375 1
Trypanosoma cruzi metacaspase, putative 0.0046 0.0375 0.2801
Trypanosoma cruzi metacaspase, putative 0.0046 0.0375 0.2801
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0351 0.9365
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0121 0.1151 0.2534
Schistosoma mansoni hypothetical protein 0.0281 0.28 0.8134
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0124 0.1186 1
Echinococcus multilocularis caspase 3 0.0075 0.0679 0.0679
Brugia malayi Flap endonuclease-1 0.0029 0.0201 0.0402
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0379 0.0379
Echinococcus granulosus importin subunit beta 1 0.0032 0.0234 0.0516
Echinococcus granulosus caspase 3 0.0075 0.0679 0.1495
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0099 0.0112
Brugia malayi mbt repeat family protein 0.0046 0.0379 0.0906
Plasmodium falciparum flap endonuclease 1 0.0029 0.0201 0.4496
Plasmodium vivax importin-beta 2, putative 0.0032 0.0234 0.5545
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0201 0.1259
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0201 0.0402
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0099 0.0112
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0124 0.1186 1
Echinococcus multilocularis caspase 2 0.0088 0.0815 0.0815
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0106 0.3016
Entamoeba histolytica hypothetical protein 0.0077 0.0699 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0099 0.0218
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0095 0.0343
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0234 0.5545
Echinococcus granulosus neuropeptide s receptor 0.045 0.4542 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0095 0.0343
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0699 0.2031
Loa Loa (eye worm) hypothetical protein 0.0088 0.0815 0.2139
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0351 0.0773
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0106 0.147
Echinococcus multilocularis geminin 0.0205 0.2013 0.2013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0379 0.0906
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Schistosoma mansoni caspase-7 (C14 family) 0.0121 0.1151 0.3344
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0175 0.1022
Trypanosoma cruzi metacaspase, putative 0.0046 0.0375 0.2801
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Echinococcus granulosus geminin 0.0205 0.2013 0.4431
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0375 0.2801
Trypanosoma brucei metacaspase MCA2 0.0046 0.0375 0.2801
Echinococcus multilocularis caspase 8 0.0046 0.0375 0.0375
Entamoeba histolytica hypothetical protein 0.0077 0.0699 1
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.006 0.0131
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0351 0.102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0095 0.0343
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0491 0.108
Schistosoma mansoni flap endonuclease-1 0.0026 0.0173 0.0502
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.006 0.0131
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.4542 0.4542
Onchocerca volvulus Cell death protein 3 homolog 0.0088 0.0815 0.5291
Brugia malayi beta-lactamase 0.0043 0.0351 0.0826
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0234 0.1553
Brugia malayi jmjC domain containing protein 0.0057 0.0491 0.1221
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0175 0.4972
Echinococcus multilocularis snurportin 1 0.0343 0.3443 0.3443
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0175 0.4972
Brugia malayi follicle stimulating hormone receptor 0.0261 0.259 0.7169
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0201 0.4496
Echinococcus granulosus apoptotic protease activating factor 1 0.0043 0.0343 0.0754
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0099 0.0218
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0351 0.0826
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.006 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0351 0.0826
Plasmodium falciparum importin beta, putative 0.0032 0.0234 0.5545
Loa Loa (eye worm) hypothetical protein 0.0053 0.0445 0.1093
Schistosoma mansoni hypothetical protein 0.0205 0.2013 0.5846
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0343 0.3443 0.9585
Trypanosoma brucei metacaspase MCA3 0.0046 0.0375 0.2801
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0491 0.1425
Brugia malayi beta-lactamase family protein 0.0043 0.0351 0.0826
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0351 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0351 0.1269
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0351 0.1269
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0099 0.0099
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.006 0.0131
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0175 0.4972
Echinococcus multilocularis protein quaking 0.003 0.0215 0.0215
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.1186 1
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0379 0.0906
Trypanosoma brucei calpain-like protein, putative 0.0124 0.1186 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.1781 0.3922
Leishmania major metacaspase, putative 0.0046 0.0375 0.2801
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0175 0.4972
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0351 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0351 0.9245
Leishmania major hypothetical protein, conserved 0.0043 0.0351 0.2589
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0172 0.4579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0524 0.1315
Mycobacterium tuberculosis Conserved protein 0.0043 0.0351 0.1269
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.1186 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0491 0.0491
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0175 0.1022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0175 0.0055
Schistosoma mansoni hypothetical protein 0.003 0.0215 0.0624
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0175 0.4972
Schistosoma mansoni hypothetical protein 0.003 0.0215 0.0624
Loa Loa (eye worm) hypothetical protein 0.0043 0.0351 0.0826
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0175 0.0631
Loa Loa (eye worm) hypothetical protein 0.0156 0.1516 0.4125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0351 0.102
Brugia malayi hypothetical protein 0.0077 0.0699 0.1812
Trypanosoma brucei metacaspase 5, putative 0.0046 0.0375 0.2801
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0201 0.4496
Loa Loa (eye worm) hypothetical protein 0.0041 0.0327 0.0758
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0175 0.0326
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.0288
Schistosoma mansoni hypothetical protein 0.0019 0.0099 0.0288
Loa Loa (eye worm) hypothetical protein 0.0046 0.0375 0.0894
Mycobacterium tuberculosis Conserved protein 0.0043 0.0351 0.1269
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0445 0.1093
Echinococcus granulosus flap endonuclease 1 0.0029 0.0201 0.0443
Schistosoma mansoni hypothetical protein 0.0343 0.3443 1
Schistosoma mansoni caspase-3 (C14 family) 0.0121 0.1151 0.3344
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0131
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0131
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.006 0.0173
Trypanosoma brucei calpain, putative 0.0124 0.1186 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Echinococcus granulosus neuropeptide receptor A26 0.045 0.4542 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0043 0.0343 0.0343
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0201 0.0201
Brugia malayi RNA, U transporter 1 0.0091 0.0846 0.2227
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0375 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0351 0.1269
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0375 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0351 0.1269
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0491 0.0491
Echinococcus granulosus caspase 0.0121 0.1151 0.2534
Echinococcus granulosus hypothetical protein 0.003 0.0215 0.0473
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0172 0.4579
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0112
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0046 0.0375 0.0894
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.1186 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0175 0.0326
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0375 0.2801
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0175 0.0055
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0201 0.0562
Plasmodium falciparum metacaspase-like protein 0.0046 0.0375 1
Trichomonas vaginalis esterase, putative 0.0043 0.0351 0.9365
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0175 0.0326
Schistosoma mansoni importin beta-1 0.0032 0.0234 0.0681

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.0588 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

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