Detailed information for compound 65335

Basic information

Technical information
  • TDR Targets ID: 65335
  • Name: N-cyclohexyl-2-phenyl-3-[(4-propan-2-ylpipera zin-1-yl)methyl]quinoline-4-carboxamide
  • MW: 470.649 | Formula: C30H38N4O
  • H donors: 1 H acceptors: 2 LogP: 5.39 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCN(CC1)Cc1c(nc2c(c1C(=O)NC1CCCCC1)cccc2)c1ccccc1)C
  • InChi: 1S/C30H38N4O/c1-22(2)34-19-17-33(18-20-34)21-26-28(30(35)31-24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3,5-6,9-12,15-16,22,24H,4,7-8,13-14,17-21H2,1-2H3,(H,31,35)
  • InChiKey: KULZXADAJUBWTD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide
  • N-cyclohexyl-3-[(4-isopropyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide
  • N-cyclohexyl-3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References
Homo sapiens tachykinin receptor 2 Starlite/ChEMBL References
Homo sapiens tachykinin receptor 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tachykinin peptides receptor 99D Get druggable targets OG5_131969 All targets in OG5_131969
Echinococcus granulosus tachykinin peptides receptor 99D Get druggable targets OG5_131969 All targets in OG5_131969
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
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.009 0.1121 0.405
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0241 0.0473
Leishmania major DNA polymerase eta, putative 0.0094 0.1175 0.4398
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0446 0.0875
Trypanosoma brucei unspecified product 0.0044 0.0457 0.1591
Echinococcus multilocularis ets variant gene 4 0.0013 0.001 0.002
Trypanosoma brucei telomerase reverse transcriptase 0.0194 0.2608 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0231 0.1579
Schistosoma mansoni hypothetical protein 0.0041 0.0414 0.0811
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.01 0.0197
Plasmodium falciparum telomerase reverse transcriptase 0.0194 0.2608 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.002 0.0112 0.0431
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.01 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0613 0.1203
Onchocerca volvulus 0.0287 0.3951 0.3815
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.009 0.1121 0.4185
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Mycobacterium tuberculosis Conserved hypothetical protein 0.0063 0.0739 0.0331
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Loa Loa (eye worm) fli-1 protein 0.0263 0.3594 0.7047
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0548 0.1949
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0194 0.0562
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.057 0.2033
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.1169 0.4483
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0061 0.0708 0.3073
Brugia malayi Importin beta-1 subunit 0.0034 0.0324 0.0449
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0276 0.0395
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0262 0.1004
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0276 0.0478
Schistosoma mansoni hypothetical protein 0.0019 0.01 0.0197
Echinococcus granulosus ewsr:fli fusion protein type 0.0013 0.001 0.002
Loa Loa (eye worm) hypothetical protein 0.0041 0.0414 0.0811
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0324 0.0635
Plasmodium falciparum plastid replication-repair enzyme 0.0037 0.036 0.1382
Loa Loa (eye worm) hypothetical protein 0.006 0.0684 0.1341
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0262 0.0829
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0112 0.0244
Brugia malayi Latrophilin receptor protein 2 0.0019 0.01 0.0139
Leishmania major hypothetical protein, conserved 0.003 0.0262 0.0829
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.01 0.0197
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Schistosoma mansoni ets 0.0013 0.001 0.002
Loa Loa (eye worm) ets-domain-containing protein 0.0013 0.001 0.002
Loa Loa (eye worm) D-ets-2 protein 0.0013 0.001 0.002
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0112 0.0244
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0262 0.1004
Echinococcus granulosus protein C ets 2 0.0013 0.001 0.002
Echinococcus multilocularis ewsr:fli fusion protein type 0.0013 0.001 0.002
Entamoeba histolytica deoxycytidyl transferase, putative 0.0063 0.0739 0.1202
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0093 0.1169 0.2292
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0063 0.0739 0.1449
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0262 0.0829
Leishmania major DNA polymerase eta, putative 0.005 0.0548 0.1949
Echinococcus granulosus dna polymerase kappa 0.0095 0.1194 0.2341
Trichomonas vaginalis DNA polymerase I, putative 0.0037 0.0356 0.2676
Giardia lamblia DINP protein human, muc B family 0.0071 0.0852 0.1473
Echinococcus granulosus snurportin 1 0.0368 0.51 1
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0127 0.1646 1
Trypanosoma brucei DNA damage repair protein, putative 0.002 0.0112 0.0244
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0324 0.1071
Schistosoma mansoni hypothetical protein 0.0013 0.001 0.002
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0194 0.038
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.009 0.1121 0.4185
Echinococcus multilocularis GPCR, family 2 0.0019 0.01 0.0197
Loa Loa (eye worm) hypothetical protein 0.0093 0.1169 0.2292
Brugia malayi MH2 domain containing protein 0.0143 0.1874 0.2595
Toxoplasma gondii DNA polymerase I domain-containing protein 0.0037 0.0356 0.1365
Trypanosoma cruzi DNA damage repair protein, putative 0.002 0.0112 0.0244
Brugia malayi Flap endonuclease-1 0.0031 0.0276 0.0382
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0262 0.0829
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0276 0.1059
Echinococcus multilocularis geminin 0.0202 0.2731 0.5355
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Echinococcus multilocularis twinkle protein, mitochondrial 0.0027 0.0219 0.0429
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0684 0.0947
Schistosoma mansoni hypothetical protein 0.0013 0.001 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.057 0.2033
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0262 0.1004
Schistosoma mansoni gabp alpha 0.0086 0.107 0.2098
Toxoplasma gondii helicase, putative 0.0037 0.036 0.1382
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0112 0.0244
Treponema pallidum DNA polymerase I (polA) 0.0127 0.1651 1
Trichomonas vaginalis ran, putative 0.0025 0.0194 0.1256
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0024 0.0047
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0262 0.0615
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0194 0.2608 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0613 0.1203
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0037 0.0356 0.1197
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0037 0.0356 0.1197
Brugia malayi DNA polymerase I family protein 0.0037 0.0356 0.0493
Schistosoma mansoni hypothetical protein 0.0019 0.01 0.0197
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0127 0.1646 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0063 0.0739 0.1449
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.009 0.1121 0.4398
Leishmania major DNA damage repair protein, putative 0.002 0.0112 0.0244
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.002
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0037 0.0356 0.1197
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.009 0.1121 0.4297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0613 0.1203
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Echinococcus granulosus GPCR family 2 0.0019 0.01 0.0197
Trypanosoma brucei unspecified product 0.0087 0.1081 0.4031
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0276 0.0884
Echinococcus multilocularis dna polymerase kappa 0.0095 0.1194 0.2341
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0276 0.0884
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0024 0.0047
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0684 0.0947
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0276 0.0542
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0118 0.1524 0.2571
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.01 0.0197
Trichomonas vaginalis DNA polymerase eta, putative 0.0095 0.1194 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0194 0.2608 1
Echinococcus multilocularis GA binding protein alpha chain 0.0086 0.107 0.2098
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0063 0.0739 0.1449
Leishmania major telomerase reverse transcriptase, putative 0.0194 0.2608 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0415 0.5782 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.005 0.0548 0.2103
Leishmania major DNA polymerase kappa, putative 0.002 0.0112 0.0244
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0368 0.51 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0013 0.001 0.002
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0446 0.0875
Echinococcus granulosus flap endonuclease 1 0.0031 0.0276 0.0542
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0191 0.0734
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0241 0.1673
Plasmodium vivax telomerase reverse transcriptase, putative 0.0194 0.2608 1
Brugia malayi Fli-1 protein 0.0263 0.3594 0.4977
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0613 0.1203
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0028 0.0225 0.0864
Loa Loa (eye worm) hypothetical protein 0.0034 0.0324 0.0635
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0194 0.0562
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0086 0.107 0.2098
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0105 0.0402
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Trypanosoma brucei DNA polymerase IV, putative 0.0095 0.1194 0.4473
Mycobacterium ulcerans 5'-3' exonuclease 0.009 0.1121 0.6573
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0071 0.0852 0.3135
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0241 0.1673
Echinococcus multilocularis ETS transcription factor Elf 5 0.0013 0.001 0.002
Mycobacterium ulcerans DNA polymerase I 0.0127 0.1646 1
Chlamydia trachomatis DNA polymerase I 0.0127 0.1646 1
Brugia malayi hypothetical protein 0.0019 0.0109 0.0151
Echinococcus granulosus tachykinin peptides receptor 99D 0.0366 0.5074 0.995
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0613 0.1203
Brugia malayi ImpB/MucB/SamB family protein 0.0094 0.1175 0.1627
Echinococcus granulosus geminin 0.0202 0.2731 0.5355
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0414 0.0573
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0231 0.1579
Echinococcus granulosus peptidase Clp S14 family 0.0061 0.0708 0.1388
Schistosoma mansoni DNA polymerase IV / kappa 0.002 0.0112 0.022
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0037 0.0356 0.1197
Echinococcus granulosus ETS transcription factor Elf 2 0.0013 0.001 0.002
Brugia malayi Ets-domain containing protein 0.0013 0.001 0.0014
Brugia malayi polk-prov protein 0.0051 0.0568 0.0786
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0063 0.0739 0.1449
Schistosoma mansoni flap endonuclease-1 0.0028 0.0233 0.0458
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0093 0.1169 0.4244
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0013 0.001 0.002
Plasmodium falciparum importin beta, putative 0.0034 0.0324 0.1242
Schistosoma mansoni terminal deoxycytidyl transferase 0.0063 0.0739 0.1449
Echinococcus granulosus dna polymerase eta 0.0094 0.1175 0.2304
Leishmania major GTP-binding protein, putative 0.0025 0.0194 0.0562
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0194 0.0342
Schistosoma mansoni ran 0.0025 0.0194 0.038
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0013 0.001 0.002
Loa Loa (eye worm) pax transcription factor protein 2 0.0287 0.3951 0.7746
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.009 0.1121 0.4185
Loa Loa (eye worm) hypothetical protein 0.0037 0.0356 0.0698
Echinococcus granulosus ETS transcription factor Elf 2 0.0013 0.001 0.002
Giardia lamblia Telomerase catalytic subunit 0.0194 0.2608 0.4511
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0231 0.1579
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0093 0.1169 0.4483
Mycobacterium ulcerans DNA polymerase IV 0.0095 0.1194 0.7052
Plasmodium falciparum DNA repair protein REV1, putative 0.002 0.0112 0.0431
Echinococcus granulosus importin subunit beta 1 0.0034 0.0324 0.0635
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Schistosoma mansoni peptidase Clp (S14 family) 0.0093 0.1169 0.2292
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.0852 0.3135
Echinococcus multilocularis protein C ets 2 0.0013 0.001 0.002
Echinococcus multilocularis snurportin 1 0.0368 0.51 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0446 0.0875
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.1874 0.3675
Brugia malayi Ets-domain containing protein 0.0086 0.107 0.1482
Entamoeba histolytica hypothetical protein 0.0028 0.0231 0.0315
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0112 0.0244
Brugia malayi Probable ClpP-like protease 0.0093 0.1169 0.1619
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.1169 0.4483
Schistosoma mansoni DNA polymerase I 0.0037 0.0356 0.0698
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Trypanosoma cruzi DNA polymerase eta, putative 0.0094 0.1175 0.4398
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0013 0.001 0.002
Trypanosoma brucei chrX additional, unordered contigs 0.002 0.0112 0.0244
Trypanosoma brucei unspecified product 0.0044 0.0457 0.1591
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0194 0.038
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0194 0.038
Plasmodium falciparum flap endonuclease 1 0.0031 0.0276 0.1059
Schistosoma mansoni hypothetical protein 0.0202 0.2731 0.5355
Loa Loa (eye worm) RecQ helicase 0.0029 0.0241 0.0473
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0194 0.0743
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Trypanosoma brucei DNA damage repair protein, putative 0.002 0.0112 0.0244
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0324 0.1242
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0276 0.1977
Brugia malayi Pax transcription factor protein 2 0.0287 0.3951 0.547
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0032 0.0292 0.0733
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0194 0.0743
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0366 0.5074 0.995
Loa Loa (eye worm) hypothetical protein 0.0051 0.0568 0.1113
Loa Loa (eye worm) hypothetical protein 0.0074 0.089 0.1746
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.00000000007726 0.00000000029623
Echinococcus multilocularis ETS transcription factor Elf 2 0.0013 0.001 0.002
Brugia malayi DNA-binding protein D-ETS-3 0.0013 0.001 0.0014
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0037 0.0356 0.1197
Entamoeba histolytica hypothetical protein 0.0043 0.0446 0.0691
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Trypanosoma brucei DNA polymerase kappa, putative 0.0051 0.0568 0.2024
Schistosoma mansoni ran 0.0025 0.0194 0.038
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0324 0.1071
Schistosoma mansoni hypothetical protein 0.0368 0.51 1
Schistosoma mansoni hypothetical protein 0.0013 0.0024 0.0047
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0684 0.1341
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0194 0.0268
Toxoplasma gondii RNA-directed DNA polymerase 0.0194 0.2608 1
Schistosoma mansoni hypothetical protein 0.0043 0.0446 0.0875
Giardia lamblia DNA damage repair protein 0.002 0.0112 0.0194
Echinococcus multilocularis dna polymerase eta 0.0094 0.1175 0.2304
Mycobacterium ulcerans DNA polymerase IV 0.0095 0.1194 0.7052
Echinococcus multilocularis peptidase Clp (S14 family) 0.0061 0.0708 0.1388
Brugia malayi hypothetical protein 0.003 0.0262 0.0363
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0197
Trypanosoma brucei DNA polymerase kappa, putative 0.0051 0.0568 0.2024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0613 0.1203
Echinococcus granulosus ETS transcription factor Elf 1 0.0013 0.001 0.002
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0276 0.0542
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0231 0.0706
Schistosoma mansoni ets-related 0.0263 0.3594 0.7047
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0127 0.1646 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Brugia malayi ImpB/MucB/SamB family protein 0.0063 0.0739 0.1023
Loa Loa (eye worm) hypothetical protein 0.0094 0.1175 0.2304
Plasmodium vivax importin-beta 2, putative 0.0034 0.0324 0.0863
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0037 0.0356 0.0534
Brugia malayi Ets-domain containing protein 0.0086 0.107 0.1482
Entamoeba histolytica Ran family GTPase 0.0025 0.0194 0.0251
Schistosoma mansoni hypothetical protein 0.0027 0.0219 0.0429
Schistosoma mansoni hypothetical protein 0.0019 0.01 0.0197
Entamoeba histolytica hypothetical protein 0.0118 0.1524 0.2571
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.01 0.0139
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0276 0.0884
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0095 0.1194 1
Brugia malayi RNA, U transporter 1 0.0098 0.1234 0.1709
Loa Loa (eye worm) hypothetical protein 0.003 0.0262 0.0513
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.1081 0.4031
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0093 0.1169 0.6457
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0071 0.0852 0.1534
Echinococcus granulosus bloom syndrome protein 0.0029 0.0241 0.0473
Schistosoma mansoni DNA polymerase eta 0.0094 0.1175 0.2304
Brugia malayi transcription factor E74 isoform 0.0013 0.001 0.0014
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0093 0.1169 0.2292
Trypanosoma brucei DNA polymerase IV, putative 0.0095 0.1194 0.4473
Echinococcus granulosus GA binding protein alpha chain 0.0086 0.107 0.2098
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0194 0.0335
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.1169 0.6889
Leishmania major DNA polymerase kappa, putative 0.0071 0.0852 0.3135
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0155 0.0304
Echinococcus granulosus twinkle protein mitochondrial 0.0027 0.0219 0.0429
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0613 0.1203
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0613 0.0849
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0032 0.0292 0.1118
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.1874 0.3675
Schistosoma mansoni elf1 0.0013 0.001 0.002
Echinococcus multilocularis ETS transcription factor Elf 1 0.0013 0.001 0.002
Leishmania major importin beta-1 subunit, putative 0.0028 0.0231 0.0706
Schistosoma mansoni hypothetical protein 0.0019 0.01 0.0197
Echinococcus multilocularis ETS transcription factor Elf 2 0.0013 0.001 0.002
Plasmodium vivax DNA repair protein REV1, putative 0.002 0.0112 0.0016
Trypanosoma brucei DNA polymerase eta, putative 0.0094 0.1175 0.4398
Loa Loa (eye worm) hypothetical protein 0.0144 0.1899 0.3723
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0241 0.0334
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1194 0.4473
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.1169 0.6889
Loa Loa (eye worm) twinkle helicase 0.0027 0.0219 0.0429
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0276 0.0672
Entamoeba histolytica hypothetical protein 0.0043 0.0446 0.0691
Brugia malayi hypothetical protein 0.0043 0.0446 0.0618
Schistosoma mansoni hypothetical protein 0.0202 0.2731 0.5355
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0613 0.1203
Schistosoma mansoni ets-related 0.0013 0.001 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.057 0.2033
Entamoeba histolytica hypothetical protein 0.0043 0.0446 0.0691
Plasmodium vivax plastid replication-repair enzyme, putative 0.0037 0.036 0.1008
Entamoeba histolytica hypothetical protein 0.0043 0.0446 0.0691
Trypanosoma cruzi DNA damage repair protein, putative 0.002 0.0112 0.0244
Echinococcus granulosus ETS domain containing protein Elk 1 0.0013 0.001 0.002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.01 0.0197
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0044 0.0462 0.1773
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.009 0.1121 0.4185
Brugia malayi Telomerase reverse transcriptase 0.0516 0.7222 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0093 0.1169 0.6477
Schistosoma mansoni hypothetical protein 0.0027 0.0219 0.0429
Giardia lamblia DNA repair protein RAD52 0.0415 0.5782 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0013 0.001 0.002
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0194 0.0562
Toxoplasma gondii hypothetical protein 0.0032 0.0292 0.1118
Schistosoma mansoni importin beta-1 0.0034 0.0324 0.0635

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.2 nM Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes ChEMBL. 11356103
Ki (binding) = 4.2 nM Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes ChEMBL. 11356103
Ki (binding) = 226 nM Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines ChEMBL. 11356103
Ki (binding) = 226 nM Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines ChEMBL. 11356103
Ki (binding) = 1250 nM Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes ChEMBL. 11356103
Ki (binding) = 1250 nM Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes ChEMBL. 11356103
Ratio (binding) = 0.003 Selectivity ratio (hNK-2/hNK-3) of the compound ChEMBL. 11356103

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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