Detailed information for compound 1791084

Basic information

Technical information
  • TDR Targets ID: 1791084
  • Name: (2R,4S)-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydro pyrrolo[2,1-c]pyrazin-2-yl]-N-[(1R)-1-[3,5-bi s(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2 -methylphenyl)-N-methylpiperidine-1-carboxami de
  • MW: 628.624 | Formula: C31H35F7N4O2
  • H donors: 0 H acceptors: 2 LogP: 5.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN2[C@@H](C1)CCC2=O
  • InChi: 1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25-,27-/m1/s1
  • InChiKey: XWNBGDJPEXZSQM-RWCYZESJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,4S)-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-piperidine-1-carboxamide
  • (2R,4S)-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide
  • (2R,4S)-4-[(8aR)-6-keto-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-piperidine-1-carboxamide

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
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1814 0.2944
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0476 0.0814
Loa Loa (eye worm) hypothetical protein 0.004 0.0578 0.0565
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0476 0.0476
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0083 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0476 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0476 0.0795
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0054 0.004
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0083 0.007
Loa Loa (eye worm) hypothetical protein 0.0049 0.0793 0.0781
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0718 0.1166
Schistosoma mansoni ap endonuclease 0.0018 0.0083 0.0134
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0091 0.0016
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0091 0.0016
Loa Loa (eye worm) hypothetical protein 0.0046 0.0718 0.0706
Echinococcus multilocularis dna polymerase eta 0.0044 0.067 0.1085
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0699 0.1135
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Entamoeba histolytica hypothetical protein 0.0035 0.0465 0.2209
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0331 0.0537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0083 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0083 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0465 0.2209
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.3267 0.6588
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4381 0.4373
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0828 0.0828
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1814 0.1814
Trypanosoma brucei unspecified product 0.0019 0.0091 0.0091
Leishmania major C-8 sterol isomerase-like protein 0.0445 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0465 0.0755
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1092 0.1772
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0091 0.0091
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0476 0.0476
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.4916 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0367 0.4206
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0793 0.0781
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1814 0.2976
Mycobacterium ulcerans hypothetical protein 0.0155 0.3267 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1009 0.1645
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0083 0.007
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1092 0.108
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Brugia malayi RNA binding protein 0.0062 0.1092 0.108
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1092 0.1782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1009 0.1645
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0465 0.0747
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0165 0.0267
Loa Loa (eye worm) beta-lactamase 0.0035 0.0476 0.0464
Schistosoma mansoni hypothetical protein 0.0016 0.0013 0.0022
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0476 0.0476
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.6514 0.6514
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.004 0.0065
Mycobacterium ulcerans hypothetical protein 0.0035 0.0476 0.1236
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Schistosoma mansoni hypothetical protein 0.002 0.0121 0.0197
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0091 0.0148
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0476 0.0464
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0331 0.0524
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0476 0.0814
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0091 0.0128
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0083 0.0115
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0091 0.0017
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0091 0.0091
Schistosoma mansoni DNA polymerase eta 0.0044 0.067 0.1087
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.29 0.29
Leishmania major DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Brugia malayi beta-lactamase family protein 0.0035 0.0476 0.0464
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0476 0.0464
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1092 0.1772
Loa Loa (eye worm) hypothetical protein 0.0034 0.0432 0.0419
Loa Loa (eye worm) hypothetical protein 0.0227 0.4941 0.4934
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.004 0.0044
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.2384 0.2374
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0083 0.0083
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0276 0.6064 1
Giardia lamblia DINP protein human, muc B family 0.0019 0.0091 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0476 0.0765
Mycobacterium ulcerans lipase LipD 0.0035 0.0476 0.1236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0718 0.1166
Brugia malayi Bromodomain containing protein 0.0073 0.1356 0.1345
Brugia malayi Pre-SET motif family protein 0.0203 0.4381 0.4373
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.067 0.067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0476 0.0773
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1814 0.1803
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.29 0.29
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1814 0.3153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0699 0.1133
Loa Loa (eye worm) hypothetical protein 0.0445 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0699 0.1135
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0367 0.0367
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1814 1
Brugia malayi hypothetical protein 0.0035 0.0465 0.0452
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1092 0.1772
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1092 0.1772
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0617 0.0617
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0083 0.0083
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0091 0.0128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0699 0.1133
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.6514 0.6514
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1814 0.1814
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0091 0.0026
Schistosoma mansoni hypothetical protein 0.0034 0.0432 0.0702
Trichomonas vaginalis set domain proteins, putative 0.0231 0.5034 1
Schistosoma mansoni serine/threonine protein kinase 0.028 0.6161 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0617 0.0617
Schistosoma mansoni hypothetical protein 0.0016 0.0013 0.0022
Entamoeba histolytica hypothetical protein 0.0035 0.0465 0.2209
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0476 0.1236
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0476 1
Entamoeba histolytica hypothetical protein 0.0035 0.0465 0.2209
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0091 0.0091
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0432 0.0419
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0091 0.0091
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1092 0.1772
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.6514 0.6514
Echinococcus granulosus tar DNA binding protein 0.0062 0.1092 0.1782
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0276 0.6064 0.6059
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.067 0.067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0699 0.1135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0699 0.0687
Echinococcus granulosus dna polymerase kappa 0.0019 0.0091 0.0128
Plasmodium vivax SET domain protein, putative 0.0029 0.0331 0.6299
Loa Loa (eye worm) hypothetical protein 0.0042 0.0621 0.0609
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0469 0.0753
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.29 0.29
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.067 0.0657
Loa Loa (eye worm) hypothetical protein 0.0275 0.6057 0.6052
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0476 0.0795
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1814 0.2976
Schistosoma mansoni bromodomain containing protein 0.0062 0.109 0.1769
Schistosoma mansoni hypothetical protein 0.0035 0.0465 0.0755
Echinococcus multilocularis zinc finger protein 0.0019 0.0097 0.0139
Brugia malayi PHD-finger family protein 0.0024 0.0218 0.0205
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0121 0.0108
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0718 0.1165
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0165 0.025
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.004 0.0065
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0091 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Onchocerca volvulus 0.0035 0.0476 0.031
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0476 0.0795
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0722 0.1292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0469 0.0753
Brugia malayi MH2 domain containing protein 0.0117 0.2384 0.2374
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0465 0.0747
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0699 0.1133
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1092 0.108
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0476 0.0795
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1814 0.1803
Trichomonas vaginalis esterase, putative 0.0035 0.0476 0.0795
Toxoplasma gondii ABC1 family protein 0.0035 0.0476 0.5818
Onchocerca volvulus 0.0035 0.0476 0.031
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0476 0.0773
Schistosoma mansoni hypothetical protein 0.0016 0.0013 0.0022
Brugia malayi Bromodomain containing protein 0.0037 0.0523 0.051
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0276 0.6064 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0476 0.1236
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0091 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Leishmania major hypothetical protein, conserved 0.0035 0.0476 0.0476
Leishmania major DNA polymerase eta, putative 0.0044 0.067 0.067
Trypanosoma brucei polo-like protein kinase 0.0093 0.1814 0.1814
Leishmania major DNA polymerase eta, putative 0.0031 0.0367 0.0367
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0306 0.0483
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Brugia malayi Protein kinase domain containing protein 0.0276 0.6064 0.6059
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0083 0.0083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0699 0.1133
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0476 0.0814
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.004 0.0044
Echinococcus granulosus zinc finger protein 0.0019 0.0097 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1814 0.1814
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0793 0.0781
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1092 0.108
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0476 0.0814
Mycobacterium tuberculosis Conserved protein 0.0035 0.0476 0.0814
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0091 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0699 0.0687
Schistosoma mansoni hypothetical protein 0.0016 0.0013 0.0022
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Onchocerca volvulus 0.0035 0.0476 0.031
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0083 0.0083
Mycobacterium tuberculosis Conserved protein 0.0035 0.0476 0.0814
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0165 0.025
Loa Loa (eye worm) RNA binding protein 0.0062 0.1092 0.108
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0083 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.6514 0.6514
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0617 0.0617
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Schistosoma mansoni ap endonuclease 0.0018 0.0083 0.0134
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0091 0.0078
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0617 0.0617
Onchocerca volvulus 0.0231 0.5034 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0476 0.5
Brugia malayi beta-lactamase 0.0035 0.0476 0.0464
Loa Loa (eye worm) hypothetical protein 0.0044 0.067 0.0657
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0512
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0722 0.1292
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0476 0.0814
Giardia lamblia Kinase, PLK 0.0093 0.1814 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0091 0.0026
Schistosoma mansoni kinase 0.0047 0.0751 0.1219
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0476 0.0814
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0091 0.0128
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0718 0.1165
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0091 0.0091
Mycobacterium ulcerans beta-lactamase 0.0035 0.0476 0.1236
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0476 0.0814
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0793 0.0781
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1814 0.3496
Brugia malayi beta-lactamase family protein 0.0035 0.0476 0.0464
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0331 0.3665
Echinococcus granulosus dna polymerase eta 0.0044 0.067 0.1085
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0091 0.0047
Brugia malayi Pre-SET motif family protein 0.0029 0.0331 0.0318
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.2384 0.2374
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0476 0.0795
Schistosoma mansoni zinc finger protein 0.0019 0.0097 0.0158
Loa Loa (eye worm) hypothetical protein 0.0275 0.6057 0.6052
Loa Loa (eye worm) hypothetical protein 0.0035 0.0476 0.0464
Mycobacterium tuberculosis Conserved protein 0.0035 0.0476 0.0814
Loa Loa (eye worm) hypothetical protein 0.0069 0.1259 0.1248
Toxoplasma gondii hypothetical protein 0.0048 0.0759 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0331 0.0537
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0476 0.0765
Brugia malayi TAR-binding protein 0.0062 0.1092 0.108

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 9.7 Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 40 mins by scintillation counting analysis ChEMBL. 24075145
pKb (binding) Antagonist activity at human recombinant NK1 receptor expressed in CHO cells assessed as inhibition of SP-induced cytosolic Ca2+ release incubated 1 hr prior to SP challenge by FLIPR assay ChEMBL. 24075145

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

1 literature reference was collected for this gene.

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