Detailed information for compound 208304

Basic information

Technical information
  • TDR Targets ID: 208304
  • Name: N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1- (1H-indol-3-yl)-3-oxopentan-2-yl]acetamide
  • MW: 470.408 | Formula: C23H20F6N2O2
  • H donors: 2 H acceptors: 2 LogP: 5.07 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N[C@H](C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C23H20F6N2O2/c1-13(32)31-20(10-15-12-30-19-5-3-2-4-18(15)19)21(33)7-6-14-8-16(22(24,25)26)11-17(9-14)23(27,28)29/h2-5,8-9,11-12,20,30H,6-7,10H2,1H3,(H,31,32)/t20-/m0/s1
  • InChiKey: YMJWVPKRILZJBH-FQEVSTJZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]acetamide
  • N-[(1S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-ylmethyl)-2-oxobutyl]acetamide
  • N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxo-pentan-2-yl]ethanamide
  • N-[(1S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-ylmethyl)-2-keto-butyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
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 calpain-like cysteine peptidase, putative 0.0108 0.18 1
Brugia malayi FAT domain containing protein 0.0008 0.002 0.0029
Echinococcus multilocularis caspase 3 0.007 0.113 0.1636
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0219
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0007 0.0003
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0017 0.0195 0.039
Echinococcus granulosus hypothetical protein 0.0026 0.0351 0.0347
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0041 0.0053
Brugia malayi hypothetical protein 0.0035 0.0501 0.0922
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0501 0.0722
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0053 0.0774
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0016 0.0168 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Brugia malayi topoisomerase 0.001 0.0053 0.0092
Loa Loa (eye worm) tumor suppressor 0.0311 0.5389 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.001 0.006 0.0114
Echinococcus granulosus tumor protein p63 0.0326 0.5669 0.5667
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Mycobacterium ulcerans hypothetical protein 0.0023 0.0291 0.1233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.031 0.0635
Brugia malayi hypothetical protein 0.001 0.0053 0.0092
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0053 0.0275
Toxoplasma gondii target of rapamycin (TOR), putative 0.0017 0.0195 0.2344
Echinococcus multilocularis Immunoglobulin 0.0016 0.0168 0.0239
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Onchocerca volvulus 0.001 0.0053 0.0368
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.001 0.006 0.0103
Trypanosoma brucei calpain-like protein, putative 0.0108 0.18 1
Echinococcus granulosus defective proboscis extension response 0.0016 0.0168 0.0164
Echinococcus granulosus twitchin 0.0016 0.0168 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0969 0.1792
Loa Loa (eye worm) hypothetical protein 0.001 0.006 0.0103
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Trypanosoma cruzi metacaspase, putative 0.0043 0.0642 0.3552
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Brugia malayi TAR-binding protein 0.0061 0.0969 0.1792
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0207 0.1129
Trypanosoma cruzi metacaspase, putative 0.0043 0.0642 0.3552
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0195 0.0354
Echinococcus multilocularis geminin 0.0164 0.2785 0.4041
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0207 0.3178
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.2329 1
Echinococcus multilocularis cpg binding protein 0.0029 0.0405 0.0582
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0291 0.1233
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0969 0.1792
Echinococcus granulosus caspase 0.0113 0.1887 0.1884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.2329 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0016 0.0168 0.0239
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0195 0.019
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0969 0.1402
Schistosoma mansoni cpg binding protein 0.0029 0.0405 0.0582
Echinococcus multilocularis protein quaking 0.0026 0.0351 0.0503
Echinococcus granulosus polyadenylate binding protein 0.0009 0.0041 0.0037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0738 0.1363
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0207 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.4888 1
Entamoeba histolytica hypothetical protein 0.0024 0.031 0.0627
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0219
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0109
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0969 0.1402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0195 0.1063
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0017 0.0195 0.106
Leishmania major phosphatidylinositol 3-kinase, putative 0.0017 0.0195 0.106
Onchocerca volvulus 0.0028 0.0377 0.2773
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0195 0.0354
Trypanosoma cruzi polyadenylate-binding protein 1, putative 0.0009 0.0041 0.0204
Schistosoma mansoni hypothetical protein 0.0026 0.0351 0.0503
Plasmodium vivax metacaspase 1, putative 0.0043 0.0642 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.031 0.1704
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Schistosoma mansoni ap endonuclease 0.0018 0.0207 0.0295
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0017 0.0195 0.106
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108 0.18 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0172 0.0721
Echinococcus multilocularis caspase 0.0113 0.1887 0.2736
Brugia malayi CXXC zinc finger family protein 0.0028 0.0377 0.0692
Loa Loa (eye worm) hypothetical protein 0.0083 0.1347 0.2494
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0017 0.0195 0.106
Echinococcus granulosus protein quaking 0.0026 0.0351 0.0347
Echinococcus multilocularis caspase 2 0.0083 0.1347 0.1952
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Echinococcus multilocularis polyadenylate binding protein 0.0009 0.0041 0.0053
Echinococcus granulosus apoptotic protease activating factor 1 0.004 0.059 0.0586
Leishmania major poly(A)-binding protein 2 0.0009 0.0041 0.0204
Schistosoma mansoni topbp1 0.001 0.0053 0.0072
Echinococcus multilocularis GPCR, family 2 0.0015 0.0155 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0207 0.3178
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108 0.18 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0642 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0043 0.0642 0.1185
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0017 0.0195 0.0277
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Brugia malayi Temporarily assigned gene name protein 44 0.0026 0.0351 0.0644
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0291 0.1233
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0155 0.028
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0195 0.0354
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Echinococcus granulosus caspase 2 0.0083 0.1347 0.1344
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Onchocerca volvulus 0.0048 0.0732 0.5415
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Loa Loa (eye worm) hypothetical protein 0.0048 0.0732 0.1351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Brugia malayi hypothetical protein 0.004 0.059 0.1088
Toxoplasma gondii polyadenylate binding protein, putative 0.0009 0.0041 0.0452
Schistosoma mansoni caspase-7 (C14 family) 0.0083 0.1347 0.1952
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0108 0.18 1
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0053 0.0072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Entamoeba histolytica hypothetical protein 0.0035 0.0501 0.1017
Schistosoma mansoni hypothetical protein 0.0164 0.2785 0.4041
Trypanosoma brucei Metacaspase-4 0.0043 0.0642 0.3552
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0732 0.1057
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0642 0.7856
Trypanosoma brucei hypothetical protein 0.0108 0.18 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0016 0.0168 0.0164
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0043 0.0642 0.0927
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0017 0.0195 0.106
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0155 0.028
Echinococcus granulosus neuroglian 0.0016 0.0168 0.0164
Schistosoma mansoni hypothetical protein 0.0008 0.002 0.0023
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0501 0.0722
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.031 0.0445
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0207 0.0423
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0003
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0219
Loa Loa (eye worm) hypothetical protein 0.0017 0.0188 0.0342
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0017 0.0195 0.106
Trypanosoma cruzi metacaspase, putative 0.0043 0.0642 0.3552
Loa Loa (eye worm) hypothetical protein 0.0021 0.0251 0.0458
Leishmania major metacaspase, putative 0.0043 0.0642 0.3552
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0004 0.0008
Onchocerca volvulus 0.0023 0.0291 0.2134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0053 0.0092
Trypanosoma brucei polyadenylate-binding protein 1 0.0009 0.0041 0.0204
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.031 0.0568
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0291 0.1233
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0291 0.0532
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0017 0.0194 0.0353
Echinococcus granulosus replication factor c subunit 1 0.001 0.0053 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Brugia malayi hypothetical protein 0.0016 0.0168 0.0305
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0155 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.0041
Schistosoma mansoni ap endonuclease 0.0018 0.0207 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Echinococcus granulosus cpg binding protein 0.0029 0.0405 0.0401
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Echinococcus multilocularis Immunoglobulin 0.0016 0.0168 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0008 0.002 0.0023
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0113 0.1887 0.2736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Plasmodium vivax polyadenylate-binding protein, putative 0.0009 0.0041 0.0575
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.031 0.1704
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0291 0.1233
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0195 0.1063
Echinococcus multilocularis tumor protein p63 0.0326 0.5669 0.8231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0079 0.0163
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0738 0.1363
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0291 0.1596
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0053 0.0275
Trypanosoma brucei metacaspase 5, putative 0.0043 0.0642 0.3552
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0017 0.0195 0.0277
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0195 0.106
Trypanosoma brucei polyadenylate-binding protein 2 0.0009 0.0041 0.0204
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0207 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0172 0.0721
Brugia malayi polyadenylate-binding protein 1 0.0009 0.0041 0.0068
Schistosoma mansoni hypothetical protein 0.0035 0.0501 0.0722
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.031 0.0445
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0007 0.0004
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0011 0.0079 0.042
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0291 0.1233
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0291 0.0532
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0172 0.0721
Echinococcus granulosus serine protein kinase ATM 0.0024 0.031 0.0306
Schistosoma mansoni DNA ligase IV 0.001 0.0053 0.0072
Echinococcus granulosus nibrin 0.001 0.0053 0.0049
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0048
Schistosoma mansoni caspase-7 (C14 family) 0.0113 0.1887 0.2736
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0291 0.0532
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0053 0.0774
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0172 0.0721
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Brugia malayi hypothetical protein 0.001 0.0053 0.0092
Brugia malayi DKFZp564C0469 protein 0.001 0.0053 0.0092
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0377 0.0692
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0007 0.0004
Onchocerca volvulus Cell death protein 3 homolog 0.0083 0.1347 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.0969 0.0966
Trypanosoma cruzi metacaspase, putative 0.0043 0.0642 0.3552
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0017 0.0195 0.039
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0017 0.0195 0.106
Plasmodium falciparum metacaspase 1 0.0043 0.0642 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0188 0.2885
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0501 0.0497
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.2329 1
Schistosoma mansoni hypothetical protein 0.0026 0.0351 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0195 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0053 0.0109
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0468 0.0862
Echinococcus multilocularis neuroglian 0.0016 0.0168 0.0239
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0207 0.1129
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0108 0.18 1
Schistosoma mansoni topbp1 0.001 0.0053 0.0072
Echinococcus granulosus dnaJ subfamily B 0.0395 0.6886 0.6885
Loa Loa (eye worm) hypothetical protein 0.0017 0.0188 0.0342
Toxoplasma gondii FATC domain-containing protein 0.0024 0.031 0.3768
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0738 0.1363
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0041 0.0053
Entamoeba histolytica hypothetical protein 0.0035 0.0501 0.1017
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0207 0.0872
Loa Loa (eye worm) hypothetical protein 0.004 0.059 0.1088
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0053 0.0212
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0291 0.1233
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108 0.18 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0053 0.0109
Loa Loa (eye worm) hypothetical protein 0.0009 0.0041 0.0068
Loa Loa (eye worm) hypothetical protein 0.0017 0.0188 0.0342
Trypanosoma brucei calpain, putative 0.0108 0.18 1
Treponema pallidum fructose-bisphosphate aldolase 0.0282 0.4888 1
Trypanosoma brucei metacaspase MCA3 0.0043 0.0642 0.3552
Loa Loa (eye worm) hypothetical protein 0.0017 0.0188 0.0342
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0053 0.0275
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0017 0.0195 0.019
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0017 0.0195 0.106
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Loa Loa (eye worm) hypothetical protein 0.0033 0.0468 0.0862
Schistosoma mansoni caspase-3 (C14 family) 0.0113 0.1887 0.2736
Echinococcus multilocularis roundabout 2 0.0016 0.0168 0.0239
Entamoeba histolytica hypothetical protein 0.0035 0.0501 0.1017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0194 0.0353
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0155 0.0219
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0207 0.0415
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0195 0.106
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0195 0.106
Plasmodium falciparum metacaspase-like protein 0.0043 0.0642 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0207 0.0317
Schistosoma mansoni cpg binding protein 0.0028 0.0377 0.0541
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108 0.18 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0969 0.1792
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0928 0.1342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0207 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0011 0.0079 0.0928
Brugia malayi hypothetical protein 0.0026 0.0351 0.0644
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0016 0.0168 0.0239
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0053 0.0109
Schistosoma mansoni hypothetical protein 0.0164 0.2785 0.4041
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0969 0.1402
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0291 0.0587
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0207 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0291 0.1233
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0291 0.1233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.006 0.0122
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0291 0.1233
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0291 0.1596
Trypanosoma cruzi polyadenylate-binding protein, putative 0.0009 0.0041 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Echinococcus multilocularis apoptotic protease activating factor 1 0.004 0.059 0.0852
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0291 0.1596
Loa Loa (eye worm) hypothetical protein 0.0023 0.0291 0.0532
Toxoplasma gondii exonuclease III APE 0.0018 0.0207 0.2497
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0168 0.0305
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0108 0.18 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0195 0.0354
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0155 0.0151
Schistosoma mansoni nephrin 0.0016 0.0168 0.0239
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0291 0.0587
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108 0.18 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Echinococcus granulosus geminin 0.0164 0.2785 0.2782
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0109
Entamoeba histolytica protein kinase rad3, putative 0.001 0.006 0.0114
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0053 0.0109
Schistosoma mansoni hypothetical protein 0.0033 0.0468 0.0674
Leishmania major poly(A)-binding protein 3 0.0009 0.0041 0.0204
Loa Loa (eye worm) hypothetical protein 0.0011 0.0079 0.014
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0642 0.3552
Loa Loa (eye worm) hypothetical protein 0.0023 0.0291 0.0532
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0207 0.1129
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0642 0.7856
Loa Loa (eye worm) hypothetical protein 0.0043 0.0642 0.1185
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.4888 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0738 0.1363
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0109
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0053 0.0608
Loa Loa (eye worm) hypothetical protein 0.0023 0.0291 0.0532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0041 0.0053
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0033
Brugia malayi tumor suppressor. 0.0311 0.5389 1
Echinococcus multilocularis nibrin 0.001 0.0053 0.0072
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0155 0.028
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0291 0.1233
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0188 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0053 0.0275
Schistosoma mansoni cell adhesion molecule 0.0016 0.0168 0.0239
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0291 0.1233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 0.4888 1
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0035 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0188 0.0792
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0969 0.1402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0168 0.0305
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0195 0.106
Echinococcus granulosus serine:threonine protein kinase SMG1 0.001 0.006 0.0055
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0108 0.18 1
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.6886 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0816 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0251 0.1372
Loa Loa (eye worm) hypothetical protein 0.0008 0.002 0.0029
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0207 0.0317
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.0642 0.3552
Entamoeba histolytica hypothetical protein 0.0035 0.0501 0.1017
Onchocerca volvulus 0.004 0.059 0.4363
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0053 0.0212
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0053 0.0109
Loa Loa (eye worm) hypothetical protein 0.0016 0.0168 0.0305
Echinococcus granulosus GPCR family 2 0.0015 0.0155 0.0151
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0291 0.0587
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0969 0.1402
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0053 0.0072
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0017 0.0195 0.106
Brugia malayi Cell death protein 3 precursor 0.0083 0.1347 0.2494
Echinococcus granulosus caspase 3 0.007 0.113 0.1126
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0207 0.0872
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.0642 0.7856
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Trypanosoma cruzi target of rapamycin kinase 3 0.0017 0.0195 0.106
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108 0.18 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Echinococcus granulosus Immunoglobulin 0.0016 0.0168 0.0164
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Schistosoma mansoni cpg binding protein 0.0029 0.0405 0.0582
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0188 0.0792
Echinococcus granulosus roundabout 2 0.0016 0.0168 0.0164
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0053 0.0092
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0188 0.2885
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0108 0.18 1
Entamoeba histolytica hypothetical protein 0.001 0.0053 0.0101
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0195 0.0277
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108 0.18 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0969 0.1402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0017 0.0195 0.106
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0053 0.0101
Giardia lamblia GTOR 0.0017 0.0195 0.0292
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0053 0.0275
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0207 0.1129
Schistosoma mansoni hypothetical protein 0.0395 0.6886 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0108 0.18 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.001 0.006 0.0081
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0004 0.0008
Echinococcus granulosus caspase 8 0.0043 0.0642 0.0638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0037 0.0061
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.0642 0.1314
Schistosoma mansoni vesicular amine transporter 0.0016 0.0168 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0195 0.0398
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0092
Loa Loa (eye worm) hypothetical protein 0.0015 0.0155 0.028
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0207 0.0423
Trypanosoma brucei metacaspase 0.0043 0.0642 0.3552
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.001 0.006 0.0309
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0207 0.0376
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0053 0.0608
Schistosoma mansoni fkbp-rapamycin associated protein 0.001 0.006 0.0081
Loa Loa (eye worm) RNA binding protein 0.0061 0.0969 0.1792
Plasmodium falciparum polyadenylate-binding protein, putative 0.0009 0.0041 0.0575
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0079 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0053 0.0109
Schistosoma mansoni hypothetical protein 0.004 0.059 0.0852
Loa Loa (eye worm) hypothetical protein 0.0026 0.0351 0.0644
Echinococcus multilocularis caspase 8 0.0043 0.0642 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0642 0.1314
Trypanosoma brucei metacaspase MCA2 0.0043 0.0642 0.3552
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.4888 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0008 0.002 0.0016
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0113 0.1887 0.1884
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0108 0.18 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0004
Schistosoma mansoni hypothetical protein 0.0015 0.0155 0.0219
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0155 0.0219
Brugia malayi RNA binding protein 0.0061 0.0969 0.1792
Loa Loa (eye worm) hypothetical protein 0.0017 0.0188 0.0342

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.51 Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]-SP. ChEMBL. 9733486
IC50 (binding) = 2.2 nM Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
IC50 (binding) = 2.2 nM Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
IC50 (binding) = 3.1 nM Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
IC50 (binding) = 3.1 nM Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
IC50 (binding) = 10 nM Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
IC50 (binding) = 10 nM Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P. ChEMBL. 7535362
Log IC50 (binding) = 8.51 M Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]-SP. ChEMBL. 9733486
Ratio (binding) = 5 Ratio of IC50 value against hNK1 receptor to that of Q165A receptor. ChEMBL. 7535362
Ratio (binding) = 5 Ratio of IC50 value against hNK1 receptor to that of Q165A receptor. ChEMBL. 7535362

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

2 literature references were collected for this gene.

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