Detailed information for compound 178177

Basic information

Technical information
  • TDR Targets ID: 178177
  • Name: (2S)-1-[(2-chlorophenyl)methylcarbamothioyl]- N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1 -oxo-3-phenylpropan-2-yl]pyrrolidine-2-carbox amide
  • MW: 561.137 | Formula: C31H33ClN4O2S
  • H donors: 2 H acceptors: 2 LogP: 5.19 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCc2c(C1)cccc2)[C@@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)Cc1ccccc1
  • InChi: 1S/C31H33ClN4O2S/c32-26-14-7-6-12-24(26)20-33-31(39)36-17-8-15-28(36)29(37)34-27(19-22-9-2-1-3-10-22)30(38)35-18-16-23-11-4-5-13-25(23)21-35/h1-7,9-14,27-28H,8,15-21H2,(H,33,39)(H,34,37)/t27-,28-/m0/s1
  • InChiKey: ZWGBYSYEAMYQIP-NSOVKSMOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-[[(2-chlorophenyl)methylamino]-thioxomethyl]-2-pyrrolidinecarboxamide
  • (2S)-1-[(2-chlorophenyl)methylcarbamothioyl]-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide
  • (2S)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1-[(2-chlorobenzyl)thiocarbamoyl]pyrrolidine-2-carboxamide
  • (2S)-1-[(2-chlorophenyl)methylcarbamothioyl]-N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-(phenylmethyl)ethyl]pyrrolidine-2-carboxamide
  • (2S)-1-[[(2-chlorophenyl)methylamino]-thioxomethyl]-N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-(phenylmethyl)ethyl]-2-pyrrolidinecarboxamide
  • (2S)-N-[(1S)-1-(benzyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1-[(2-chlorobenzyl)thiocarbamoyl]pyrrolidine-2-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
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1986 0.3386 0.3366
Loa Loa (eye worm) hypothetical protein 0.0839 0.1324 0.1324
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1986 0.3386 0.3366
Leishmania major hypothetical protein, conserved 0.0477 0.0672 0.0644
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0377 0.0493 0.0465
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0398 0.0532 0.0504
Toxoplasma gondii FATC domain-containing protein 0.1092 0.1778 0.1858
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1986 0.3386 0.3366
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0377 0.0493 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.4517 0.7933 0.7929
Trichomonas vaginalis PIKK family atypical protein kinase 0.1092 0.1778 0.176
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0377 0.0493 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.1931 0.3286 0.3272
Trichomonas vaginalis PIKK family atypical protein kinase 0.5667 1 1
Giardia lamblia GTOR 0.5667 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0442 0.0611 0.0583
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1092 0.1778 0.1778
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0442 0.0611 0.0583
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1986 0.3386 0.3386
Trichomonas vaginalis PIKK family atypical protein kinase 0.1931 0.3286 0.3272
Trichomonas vaginalis PIKK family atypical protein kinase 0.3387 0.5903 0.5894
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1986 0.3386 0.3386
Loa Loa (eye worm) hypothetical protein 0.0107 0.0007 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0134 0.0056 0.0056
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5667 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0209 0.0191 0.0162
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1216 0.2001 0.218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.0493 0.0472
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0466 0.0653 0.0625
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0123 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.051 0.0732 0.0732
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4522 0.7941 0.7935
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0586 0.0868 0.0841
Echinococcus multilocularis Zinc finger, PHD finger 0.0398 0.0532 0.0532
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0775 0.1209 0.1209
Schistosoma mansoni hypothetical protein 0.0839 0.1324 0.1324
Trichomonas vaginalis PIKK family atypical protein kinase 0.3387 0.5903 0.5894
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0398 0.0532 0.0511
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0119 0.0029 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0542 0.0789 0.0762
Loa Loa (eye worm) hypothetical protein 0.0715 0.1101 0.1101
Brugia malayi MH2 domain containing protein 0.0143 0.0072 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.3077 0.5345 0.5335
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.0465
Loa Loa (eye worm) FKBP5 protein 0.0119 0.0029 0.0029
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.3371 0.5875 0.5866
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0123 0.0036 0.0036
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0442 0.0611 0.059
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5667 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0377 0.0493 0.0465
Entamoeba histolytica hypothetical protein 0.0542 0.0789 0.0762
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0119 0.0029 0.0029
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0398 0.0532 0.0504
Trichomonas vaginalis PIKK family atypical protein kinase 0.3081 0.5353 0.5343
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0658 0.0999 0.0999
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0377 0.0493 0.0465
Schistosoma mansoni fkbp-rapamycin associated protein 0.1092 0.1778 0.1778
Leishmania major phosphatidylinositol kinase related protein, putative 0.0377 0.0493 0.0465
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.4517 0.7933 0.7929
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0586 0.0868 0.0841
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0442 0.0611 0.0583
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1092 0.1778 0.1754
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0377 0.0493 0.0493
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0377 0.0493 0.0493
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1092 0.1778 0.1778
Entamoeba histolytica hypothetical protein 0.0377 0.0493 0.0465
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0398 0.0532 0.0532
Trichomonas vaginalis PIKK family atypical protein kinase 0.4517 0.7933 0.7929
Brugia malayi FAT domain containing protein 0.0839 0.1324 0.1298
Trichomonas vaginalis PIKK family atypical protein kinase 0.3081 0.5353 0.5343
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0442 0.0611 0.059
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.1092 0.1778 0.176
Loa Loa (eye worm) phosphatidylinositol 3 0.1943 0.3307 0.3307
Loa Loa (eye worm) phosphatidylinositol 3 0.0377 0.0493 0.0493
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0442 0.0611 0.0583
Trichomonas vaginalis PIKK family atypical protein kinase 0.5667 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0398 0.0532 0.0504
Trichomonas vaginalis PIKK family atypical protein kinase 0.3081 0.5353 0.5343
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Trichomonas vaginalis conserved hypothetical protein 0.0715 0.1101 0.1082
Echinococcus granulosus serine protein kinase ATM 0.1092 0.1778 0.1778
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1092 0.1778 0.1778
Echinococcus multilocularis 0.0377 0.0493 0.0493
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.0465
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.051 0.0732 0.0732
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0377 0.0493 0.0472
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0586 0.0868 0.0848
Trichomonas vaginalis PIKK family atypical protein kinase 0.4517 0.7933 0.7929
Onchocerca volvulus 0.0377 0.0493 0.5
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0398 0.0532 0.0504
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2672 0.4618 0.4602
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0398 0.0532 0.0532
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0398 0.0532 0.0532
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0119 0.0029 0.0029
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.4828 0.8492 0.8489
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0398 0.0532 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.1943 0.3307 0.3293
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5667 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0398 0.0532 0.0056
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0421 0.0572 0.0544
Loa Loa (eye worm) phosphatidylinositol 3 0.5667 1 1
Entamoeba histolytica hypothetical protein 0.1092 0.1778 0.1754
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5667 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1943 0.3307 0.3288
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0442 0.0611 0.059
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0518 0.0747 0.0727
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1931 0.3286 0.3266
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.0072 0.0072
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0775 0.1209 0.1209
Trichomonas vaginalis PIKK family atypical protein kinase 0.3678 0.6425 0.6417
Loa Loa (eye worm) hypothetical protein 0.1145 0.1874 0.1874
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0715 0.1101 0.1075
Schistosoma mansoni voltage-gated potassium channel 0.0134 0.0056 0.0056
Loa Loa (eye worm) phosphatidylinositol 3 0.0377 0.0493 0.0493
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0398 0.0532 0.0532
Echinococcus multilocularis fk506 binding protein 0.0119 0.0029 0.0029
Entamoeba histolytica hypothetical protein 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.3371 0.5875 0.5866
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0398 0.0532 0.0511
Trichomonas vaginalis PIKK family atypical protein kinase 0.1522 0.2551 0.2535
Loa Loa (eye worm) phosphatidylinositol 3 0.0377 0.0493 0.0493
Schistosoma mansoni immunophilin 0.0119 0.0029 0.0029
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0398 0.0532 0.0532
Loa Loa (eye worm) phosphatidylinositol 3 0.0377 0.0493 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.5667 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1931 0.3286 0.3272
Loa Loa (eye worm) phosphatidylinositol 3 0.0731 0.113 0.113
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0398 0.0532 0.0532
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5667 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0442 0.0611 0.0583
Mycobacterium leprae conserved hypothetical protein 0.0377 0.0493 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0839 0.1324 0.1305
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0398 0.0532 0.0504
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1104 0.1799 0.1775
Trichomonas vaginalis PIKK family atypical protein kinase 0.1931 0.3286 0.3272
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2366 0.4068 0.405
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0518 0.0747 0.0727
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0377 0.0493 0.0493
Schistosoma mansoni immunophilin 0.0119 0.0029 0.0029
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0377 0.0493 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.3081 0.5353 0.5343
Trichomonas vaginalis PIKK family atypical protein kinase 0.4517 0.7933 0.7929
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0119 0.0029 0.0008
Plasmodium vivax hypothetical protein 0.0377 0.0493 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.0715 0.1101 0.1082
Onchocerca volvulus 0.0377 0.0493 0.5
Plasmodium vivax hypothetical protein, conserved 0.0377 0.0493 0.9224
Trichomonas vaginalis PIKK family atypical protein kinase 0.3077 0.5345 0.5335
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5667 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1943 0.3307 0.3288
Entamoeba histolytica protein kinase rad3, putative 0.1092 0.1778 0.1754
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0377 0.0493 0.0472
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1092 0.1778 0.1754
Giardia lamblia Hypothetical protein 0.0377 0.0493 0.0465
Leishmania major phosphatidylinositol 3-kinase, putative 0.1931 0.3286 0.3266
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0377 0.0493 0.0465
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0398 0.0532 0.0504
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0658 0.0999 0.0999
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1092 0.1778 0.1754
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0123 0.0036 0.0036
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0398 0.0532 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0586 0.0868 0.0848
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.0072 0.0072
Entamoeba histolytica hypothetical protein 0.0377 0.0493 0.0465
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0474 0.0668 0.064
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0119 0.0029 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0119 0.0029 0.0008
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.051 0.0732 0.0732
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1092 0.1778 0.1754
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0123 0.0036 0.0007
Loa Loa (eye worm) hypothetical protein 0.1092 0.1778 0.1778
Trichomonas vaginalis PIKK family atypical protein kinase 0.3802 0.6648 0.6641
Leishmania major hypothetical protein, unknown function 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0377 0.0493 0.0493
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0839 0.1324 0.1324
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4522 0.7941 0.7935
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0119 0.0029 0.0008
Leishmania major phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.0465
Giardia lamblia Phosphatidylinositol 4-kinase 0.0377 0.0493 0.0465
Toxoplasma gondii target of rapamycin (TOR), putative 0.4227 0.7412 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5667 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5667 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.051 0.0732 0.0704
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0119 0.0029 0.0029
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0442 0.0611 0.0611
Mycobacterium tuberculosis Conserved hypothetical protein 0.0377 0.0493 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.1104 0.1799 0.1781
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0377 0.0493 0.0493
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0586 0.0868 0.0841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.0493 0.0472
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0839 0.1324 0.1324
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0377 0.0493 0.9224
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5667 1 1
Trichomonas vaginalis immunophilin, putative 0.0119 0.0029 0.0008
Loa Loa (eye worm) hypothetical protein 0.1216 0.2001 0.2001
Trichomonas vaginalis conserved hypothetical protein 0.1216 0.2001 0.1983
Trypanosoma cruzi target of rapamycin kinase 3 0.4522 0.7941 0.7935
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5667 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0119 0.0029 0.0029
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0119 0.0029 0.0029
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.019 0.0157 0.0128
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0586 0.0868 0.0841
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0586 0.0868 0.0848
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1092 0.1778 0.1754
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0377 0.0493 0.9224
Leishmania major phosphatidylinositol kinase, putative 0.0377 0.0493 0.0465
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0775 0.1209 0.1209
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0398 0.0532 0.0504
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1986 0.3386 0.3386
Echinococcus multilocularis serine protein kinase ATM 0.1092 0.1778 0.1778
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0377 0.0493 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5667 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0398 0.0532 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0377 0.0493 0.0493
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0377 0.0493 0.0465
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0398 0.0532 0.0511
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0398 0.0532 0.0504
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Schistosoma mansoni hypothetical protein 0.0377 0.0493 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.3077 0.5345 0.5335
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0377 0.0493 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.3387 0.5903 0.5894
Trichomonas vaginalis PIKK family atypical protein kinase 0.4227 0.7412 0.7406
Loa Loa (eye worm) hypothetical protein 0.0377 0.0493 0.0493

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 8000 nM In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]-SP (0.6 nM) binding to membranes from Cos-7 cells transiently transfected with the hNK-1R ChEMBL. 9703462
Ki (binding) = 8000 nM In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]-SP (0.6 nM) binding to membranes from Cos-7 cells transiently transfected with the hNK-1R ChEMBL. 9703462

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.

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