Detailed information for compound 205492

Basic information

Technical information
  • TDR Targets ID: 205492
  • Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-isoquino lin-5-ylsulfonylpyrrolidin-3-yl]hex-4-enoic a cid
  • MW: 466.549 | Formula: C25H26N2O5S
  • H donors: 2 H acceptors: 6 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC/C=C\C[C@@H]1CN(C[C@@H]1c1ccccc1O)S(=O)(=O)c1cccc2c1ccnc2
  • InChi: 1S/C25H26N2O5S/c28-23-10-5-4-9-21(23)22-17-27(16-19(22)7-2-1-3-12-25(29)30)33(31,32)24-11-6-8-18-15-26-14-13-20(18)24/h1-2,4-6,8-11,13-15,19,22,28H,3,7,12,16-17H2,(H,29,30)/b2-1-/t19-,22+/m1/s1
  • InChiKey: UBJAMZPBAMJFDV-KXNLUABASA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid
  • (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid
  • (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-isoquinolin-5-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid
  • (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)-3-pyrrolidinyl]hex-4-enoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A2 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0041 0.0342 0.0302
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0078 0.0857 0.0819
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0474 0.5739
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.0084 0.0059
Mycobacterium ulcerans hypothetical protein 0.0073 0.0795 0.1718
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0107 0.0066
Echinococcus multilocularis geminin 0.0317 0.418 0.4156
Trypanosoma cruzi UDP-galactopyranose mutase 0.0024 0.0105 0.0847
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0795 0.104
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0321 0.3703
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0122 0.1071
Leishmania major hypothetical protein, conserved 0.0073 0.0795 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0437 0.0397
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0024 0.0105 0.0064
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0084 0.0043
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0084 0.0043
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0084 0.0043
Giardia lamblia Fructose-bisphosphate aldolase 0.0542 0.7294 1
Brugia malayi latrophilin 2 splice variant baaae 0.0092 0.1048 0.2341
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0067
Onchocerca volvulus 0.0024 0.0105 0.013
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0039 0.0321 0.028
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0737 1 1
Schistosoma mansoni amine oxidase 0.0024 0.0105 0.0064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Brugia malayi MAP kinase sur-1 0.005 0.0474 0.1059
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Chlamydia trachomatis protoporphyrinogen oxidase 0.0024 0.0105 0.5
Toxoplasma gondii kinesin motor domain-containing protein 0.0056 0.0556 0.6529
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0078 0.0857 0.0819
Brugia malayi Latrophilin receptor protein 2 0.0042 0.0366 0.0816
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0321 0.0636
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0084 0.0043
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0321 0.3703
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0084 0.0043
Brugia malayi beta-lactamase 0.0073 0.0795 0.1777
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0469 0.6281 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0474 0.5739
Loa Loa (eye worm) heterochromatin protein 1 0.0057 0.0565 0.0526
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0084 0.0043
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0795 0.1777
Trypanosoma cruzi UDP-galactopyranose mutase 0.0024 0.0105 0.0847
Brugia malayi hypothetical protein 0.0025 0.0122 0.0273
Mycobacterium ulcerans lipase LipD 0.0073 0.0795 0.1718
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0795 1
Echinococcus multilocularis aminopeptidase N 0.0039 0.0321 0.028
Brugia malayi chromobox protein homolog 3 0.0032 0.0219 0.0489
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.021 0.2696 0.6021
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Mycobacterium tuberculosis Conserved hypothetical protein 0.0024 0.0105 0.0102
Schistosoma mansoni hypothetical protein 0.0042 0.0366 0.0326
Toxoplasma gondii aminopeptidase N, putative 0.0039 0.0321 0.3121
Entamoeba histolytica aminopeptidase, putative 0.0039 0.0321 0.0385
Brugia malayi Carboxylesterase family protein 0.0022 0.0084 0.0188
Schistosoma mansoni hypothetical protein 0.0317 0.418 0.4156
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0321 0.3703
Onchocerca volvulus 0.0039 0.0321 0.147
Mycobacterium tuberculosis Carboxylesterase LipT 0.0022 0.0084 0.0069
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0321 0.3703
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0024 0.0105 0.0064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0042 0.0366 0.0326
Giardia lamblia PHD finger protein 15 0.0024 0.0107 0.009
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0795 0.1209
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0542 0.7294 1
Brugia malayi jmjC domain containing protein 0.0078 0.0857 0.1913
Schistosoma mansoni hypothetical protein 0.0092 0.1048 0.1011
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Loa Loa (eye worm) hypothetical protein 0.0025 0.0124 0.0082
Schistosoma mansoni hypothetical protein 0.0376 0.4991 0.497
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0474 0.0435
Toxoplasma gondii aminopeptidase n, putative 0.0039 0.0321 0.3121
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0795 0.1718
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0265 0.3449 0.5462
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0335 0.4431 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0042 0.0366 0.0326
Loa Loa (eye worm) hypothetical protein 0.0039 0.0321 0.028
Mycobacterium tuberculosis Conserved protein 0.0073 0.0795 0.1209
Onchocerca volvulus Glucosylceramidase homolog 0.0138 0.1692 1
Loa Loa (eye worm) carboxylesterase 0.0131 0.1593 0.1558
Echinococcus multilocularis kinesin family 1 0.0432 0.5769 0.5751
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0041 0.0092
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0042 0.0366 0.0326
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0039 0.0321 0.028
Brugia malayi SWIRM domain containing protein 0.0024 0.0105 0.0235
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0795 0.104
Echinococcus granulosus aminopeptidase N 0.0039 0.0321 0.028
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0635 0.0596
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0176 0.0135
Brugia malayi Carboxylesterase family protein 0.0131 0.1593 0.3558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0437 0.0397
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Echinococcus multilocularis peregrin 0.0024 0.0107 0.0066
Echinococcus granulosus jumonji domain containing protein 0.0033 0.0236 0.0195
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0321 0.0636
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0437 0.0397
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0122 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0265 0.3449 0.7764
Brugia malayi Carboxylesterase family protein 0.0022 0.0084 0.0188
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0474 0.0435
Brugia malayi Carboxylesterase family protein 0.0131 0.1593 0.3558
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0042 0.0366 0.0326
Loa Loa (eye worm) hypothetical protein 0.0042 0.0366 0.0326
Brugia malayi PHD-finger family protein 0.0024 0.0107 0.0239
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Brugia malayi hypothetical protein 0.0339 0.4477 1
Mycobacterium ulcerans dehydrogenase 0.0024 0.0105 0.0145
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.021 0.2696 0.2666
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0039 0.0321 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0437 0.0397
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0042 0.0366 0.0816
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0321 0.3703
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0321 0.3703
Trichomonas vaginalis chromobox protein, putative 0.0034 0.0252 0.0291
Echinococcus granulosus kinesin family 1 0.0432 0.5769 0.5751
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0122 0.1071
Echinococcus granulosus lysine specific histone demethylase 1A 0.0024 0.0105 0.0064
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0795 0.2064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0134 0.1636 0.1601
Brugia malayi amine oxidase, flavin-containing family protein 0.0024 0.0105 0.0235
Echinococcus granulosus GPCR family 2 0.0042 0.0366 0.0326
Brugia malayi TATA binding protein associated factor 0.0039 0.0321 0.0716
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0321 0.0385
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0321 0.3703
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0795 0.0757
Toxoplasma gondii ABC1 family protein 0.0073 0.0795 1
Schistosoma mansoni hypothetical protein 0.0042 0.0366 0.0326
Echinococcus multilocularis chromobox protein 1 0.0057 0.0565 0.0526
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0122 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0795 1
Schistosoma mansoni acetylcholinesterase 0.0022 0.0084 0.0043
Loa Loa (eye worm) hypothetical protein 0.0039 0.0321 0.028
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Plasmodium vivax kinesin-5 0.0056 0.0556 0.6529
Trypanosoma cruzi Aminopeptidase M1, putative 0.0039 0.0321 0.3703
Loa Loa (eye worm) aminopeptidase N 0.0039 0.0321 0.028
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0321 0.3703
Leishmania major UDP-galactopyranose mutase 0.0024 0.0105 0.0847
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0542 0.7294 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.0107 0.0026
Brugia malayi beta-lactamase family protein 0.0073 0.0795 0.1777
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0795 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0024 0.0105 0.0102
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0321 0.0716
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0321 0.3703
Schistosoma mansoni hypothetical protein 0.0042 0.0366 0.0326
Echinococcus multilocularis jumonji domain containing protein 0.0033 0.0236 0.0195
Loa Loa (eye worm) hypothetical protein 0.0025 0.0122 0.0081
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0474 0.0597
Schistosoma mansoni hypothetical protein 0.0024 0.0107 0.0066
Loa Loa (eye worm) jmjC domain-containing protein 0.0029 0.0176 0.0135
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0474 0.5739
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0084 0.0069
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0474 0.0597
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0084 0.0043
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Echinococcus multilocularis neuroligin 0.0022 0.0084 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0122 0.0375
Schistosoma mansoni gliotactin 0.0022 0.0084 0.0043
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0474 0.5739
Onchocerca volvulus 0.0039 0.0321 0.147
Echinococcus granulosus carboxylesterase 5A 0.0131 0.1593 0.1558
Onchocerca volvulus 0.0073 0.0795 0.4423
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.1593 0.1558
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Echinococcus granulosus neuroligin 0.0022 0.0084 0.0043
Brugia malayi Carboxylesterase family protein 0.0022 0.0084 0.0188
Mycobacterium ulcerans oxidoreductase 0.0024 0.0105 0.0145
Mycobacterium ulcerans monoamine oxidase 0.0024 0.0105 0.0145
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0795 0.1209
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0737 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0029 0.0176 0.0135
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0795 1
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0084 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Schistosoma mansoni amine oxidase 0.0024 0.0105 0.0064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0437 0.0976
Brugia malayi Calcitonin receptor-like protein seb-1 0.0134 0.1636 0.3654
Leishmania major hypothetical protein, conserved 0.0025 0.0122 0.1071
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0474 0.5739
Echinococcus multilocularis protoporphyrinogen oxidase 0.0024 0.0105 0.0064
Schistosoma mansoni hypothetical protein 0.0042 0.0366 0.0326
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.1593 0.1558
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0474 0.0435
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0437 0.0397
Trichomonas vaginalis chromobox protein, putative 0.0057 0.0565 0.0722
Mycobacterium tuberculosis Conserved protein 0.0073 0.0795 0.1209
Giardia lamblia Kinesin-5 0.0056 0.0556 0.0709
Brugia malayi hypothetical protein 0.0024 0.0105 0.0235
Loa Loa (eye worm) carboxylesterase 0.0022 0.0084 0.0043
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0795 0.104
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0321 0.0716
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0039 0.0321 0.478
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0024 0.0107 0.0066
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0795 0.0757
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0039 0.0321 0.478
Loa Loa (eye worm) hypothetical protein 0.0073 0.0795 0.0757
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0122 0.1071
Entamoeba histolytica kinesin, putative 0.0056 0.0556 0.0709
Echinococcus granulosus lysine specific demethylase 5A 0.0029 0.0176 0.0135
Brugia malayi hypothetical protein 0.0039 0.0321 0.0716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Echinococcus granulosus chromobox protein 1 0.0057 0.0565 0.0526
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0321 0.3703
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0219 0.0245
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0265 0.3449 1
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0795 0.1209
Mycobacterium ulcerans carboxylesterase, LipT 0.0022 0.0084 0.0098
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0321 0.3703
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0321 0.0385
Echinococcus multilocularis lysine specific demethylase 5A 0.0029 0.0176 0.0135
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0084 0.0069
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0039 0.0321 0.028
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0795 0.0757
Loa Loa (eye worm) hypothetical protein 0.0131 0.1593 0.1558
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0024 0.0105 0.0145
Onchocerca volvulus 0.0039 0.0321 0.147
Loa Loa (eye worm) kinesin-like protein KLP2 0.0056 0.0556 0.0517
Loa Loa (eye worm) beta-lactamase 0.0073 0.0795 0.0757
Loa Loa (eye worm) hypothetical protein 0.0032 0.0219 0.0178
Loa Loa (eye worm) hypothetical protein 0.0134 0.1636 0.1601
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0795 0.1209
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0474 0.0435
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0042 0.0366 0.0326
Echinococcus granulosus PHD finger protein rhinoceros 0.0024 0.0107 0.0066
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0795 0.1209
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Loa Loa (eye worm) hypothetical protein 0.0092 0.1048 0.1011
Echinococcus multilocularis GPCR, family 2 0.0042 0.0366 0.0326
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0034 0.0252 0.1045
Brugia malayi hypothetical protein 0.0022 0.0084 0.0188
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0795 0.1718
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0219 0.0245
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0737 1 1
Plasmodium falciparum kinesin-5 0.0056 0.0556 1
Echinococcus granulosus acetylcholinesterase 0.0131 0.1593 0.1558
Brugia malayi Kinesin motor domain containing protein 0.0056 0.0556 0.1242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0437 0.0397
Echinococcus granulosus lysine specific histone demethylase 1A 0.0024 0.0105 0.0064
Echinococcus granulosus geminin 0.0317 0.418 0.4156
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0321 0.3121
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0321 0.0716
Trichomonas vaginalis esterase, putative 0.0073 0.0795 0.104
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0474 0.0597
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0321 0.0385
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0024 0.0105 0.0064
Loa Loa (eye worm) TATA binding protein associated factor 0.0039 0.0321 0.028
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0321 0.3121
Echinococcus multilocularis chromobox protein 1 0.0057 0.0565 0.0526
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0321 0.028
Brugia malayi Bromodomain containing protein 0.0024 0.0107 0.0239
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Echinococcus granulosus peregrin 0.0024 0.0107 0.0066
Mycobacterium ulcerans beta-lactamase 0.0073 0.0795 0.1718
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Trichomonas vaginalis chromobox protein, putative 0.0057 0.0565 0.0722
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0474 0.0597
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0134 0.1636 0.3654
Mycobacterium leprae Probable lipase LipE 0.0073 0.0795 0.2064
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Toxoplasma gondii aminopeptidase N protein 0.0039 0.0321 0.3121
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0084 0.0043
Brugia malayi Carboxylesterase family protein 0.0022 0.0084 0.0188
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0795 0.1209
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0066
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.1593 0.1558
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.009 0.0067
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0321 0.3703
Schistosoma mansoni aminopeptidase A (M01 family) 0.0039 0.0321 0.028
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0084 0.0043
Loa Loa (eye worm) jmjC domain-containing protein 0.0049 0.0458 0.0418
Treponema pallidum fructose-bisphosphate aldolase 0.0542 0.7294 0.5
Schistosoma mansoni kinesin eg-5 0.0056 0.0556 0.0517
Schistosoma mansoni hypothetical protein 0.0317 0.418 0.4156
Onchocerca volvulus Alhambra homolog 0.0024 0.0107 0.0141
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0795 0.104
Trichomonas vaginalis glucosylceramidase, putative 0.0145 0.1795 0.2419
Schistosoma mansoni chromobox protein 0.0057 0.0565 0.0526
Brugia malayi Heterochromatin protein 1 0.0057 0.0565 0.1262
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Onchocerca volvulus 0.0025 0.0124 0.0244
Loa Loa (eye worm) peptidase family M1 containing protein 0.0039 0.0321 0.028
Echinococcus multilocularis acetylcholinesterase 0.0131 0.1593 0.1558
Echinococcus multilocularis acetylcholinesterase 0.0131 0.1593 0.1558
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0474 0.0435
Trypanosoma brucei protein kinase, putative 0.005 0.0474 0.5739
Trypanosoma brucei aminopeptidase, putative 0.0039 0.0321 0.3703
Echinococcus granulosus acetylcholinesterase 0.0131 0.1593 0.1558
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0474 0.5739
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0474 0.5739
Trichomonas vaginalis glucosylceramidase, putative 0.0145 0.1795 0.2419
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0437 0.0397
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0474 0.0435
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0041 0.0092
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0795 0.0757
Mycobacterium tuberculosis Conserved protein 0.0073 0.0795 0.1209
Plasmodium falciparum phd finger protein, putative 0.0024 0.0107 0.0039
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0321 0.3703
Trichomonas vaginalis chromobox protein, putative 0.0034 0.0252 0.0291
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Echinococcus granulosus chromobox protein 1 0.0057 0.0565 0.0526
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.0084 0.0059
Echinococcus multilocularis PHD finger protein rhinoceros 0.0024 0.0107 0.0066
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0032 0.0219 0.0837
Brugia malayi beta-lactamase family protein 0.0073 0.0795 0.1777
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0105 0.0064
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0321 0.3703
Loa Loa (eye worm) hypothetical protein 0.0131 0.1593 0.1558
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0122 0.0375
Schistosoma mansoni chromobox protein 0.0057 0.0565 0.0526
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0795 0.1209
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0084 0.0043
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0474 0.5345
Onchocerca volvulus 0.0073 0.0795 0.4423
Plasmodium vivax hypothetical protein, conserved 0.0024 0.0107 0.0026
Loa Loa (eye worm) hypothetical protein 0.0039 0.0321 0.028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0474 0.0597
Loa Loa (eye worm) hypothetical protein 0.0022 0.0084 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.2696 0.366
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0542 0.7294 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0335 0.4431 1
Echinococcus multilocularis 0.0024 0.0105 0.0064
Toxoplasma gondii PHD-finger domain-containing protein 0.0024 0.0107 0.0026
Brugia malayi jmjC domain containing protein 0.0029 0.0176 0.0394
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0312 0.4103 0.6509
Trichomonas vaginalis glucosylceramidase, putative 0.0138 0.1692 0.2276
Loa Loa (eye worm) carboxylesterase 0.0022 0.0084 0.0043
Onchocerca volvulus 0.0073 0.0795 0.4423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0437 0.0397
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0795 0.104
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0795 0.0757
Brugia malayi hypothetical protein 0.0039 0.0321 0.0716

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.3 uM Compound was evaluated for anti-platelet activity by measuring its inhibitory effect on human platelet rich plasma (PRP) aggregated with U-46,619. ChEMBL. No reference
IC50 (functional) = 1.3 uM Compound was evaluated for anti-platelet activity by measuring its inhibitory effect on human platelet rich plasma (PRP) aggregated with U-46,619. ChEMBL. No reference
ID50 (functional) = 11 ug kg-1 Compound was evaluated in vivo for inhibition of U 46619 induced increase in tracheal pressure of guinea pig. ChEMBL. No reference
Kd (functional) = 9.5 Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea ChEMBL. No reference
pA2 (functional) = 9.5 Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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