Detailed information for compound 43659

Basic information

Technical information
  • TDR Targets ID: 43659
  • Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phe nylpropan-2-yl]amino]-5-(diaminomethylideneam ino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-o xopropan-2-yl]-3-[[(E)-3-phenylprop-2-enoyl]a mino]-1H-1,2,4-triazole-5-carboxamide
  • MW: 713.829 | Formula: C36H47N11O5
  • H donors: 8 H acceptors: 7 LogP: 3.53 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1n[nH]c(n1)NC(=O)/C=C/c1ccccc1)CC1CCCCC1
  • InChi: 1S/C36H47N11O5/c37-30(49)27(21-24-13-6-2-7-14-24)42-32(50)26(17-10-20-40-35(38)39)41-33(51)28(22-25-15-8-3-9-16-25)43-34(52)31-45-36(47-46-31)44-29(48)19-18-23-11-4-1-5-12-23/h1-2,4-7,11-14,18-19,25-28H,3,8-10,15-17,20-22H2,(H2,37,49)(H,41,51)(H,42,50)(H,43,52)(H4,38,39,40)(H2,44,45,46,47,48)/b19-18+/t26-,27-,28-/m0/s1
  • InChiKey: YAUKIYSZEKDQNW-URFKUNIZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-1,2,4-triazole-5-carboxamide
  • N-[(1S)-2-[[(1S)-1-[[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-oxomethyl]-4-guanidinobutyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]-3-[[(E)-1-oxo-3-phenylallyl]amino]-1H-1,2,4-triazole-5-carboxamide
  • N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxo-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxo-pentan-2-yl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-1,2,4-triazole-5-carboxamide
  • N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-3-[[(E)-3-phenylacryloyl]amino]-1H-1,2,4-triazole-5-carboxamide
  • N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-5-[[(E)-3-phenylprop-2-enoyl]amino]-2H-1,2,4-triazole-3-carboxamide
  • N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]-2H-1,2,4-triazole-3-carboxamide
  • N-[(1S)-2-[[(1S)-1-[[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-oxomethyl]-4-guanidinobutyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2H-1,2,4-triazole-3-carboxamide
  • N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-(benzyl)-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-5-[[(E)-3-phenylacryloyl]amino]-2H-1,2,4-triazole-3-carboxamide
  • N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]amino]-3-cyclohexyl-1-oxo-propan-2-yl]-5-[[(E)-3-phenylprop-2-enoyl]amino]-2H-1,2,4-triazole-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) receptor Starlite/ChEMBL 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
Brugia malayi SPARC precursor 0.0103 0.0152 0.4906
Echinococcus multilocularis follistatin 0.0103 0.0152 0.2086
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5915 1 1
Giardia lamblia Cysteinyl-tRNA synthetase 0.0086 0.0124 0.5
Echinococcus granulosus leucyl tRNA synthetase 0.0086 0.0124 0.3887
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0043 0.117
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0036 0.069
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0035 0.0036 0.2478
Echinococcus granulosus cathepsin L 0.0018 0.0008 0.011
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.0507
Leishmania major cathepsin L-like protease 0.0035 0.0036 0.1801
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0086 0.0124 0.3819
Trichomonas vaginalis abcb9, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0086 0.0124 0.3974
Trypanosoma cruzi MFS transporter, putative 0.0197 0.0311 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Entamoeba histolytica P-glycoprotein 5, putative 0.0023 0.0016 0.0721
Entamoeba histolytica hypothetical protein 0.0039 0.0043 0.3064
Onchocerca volvulus 0.0035 0.0036 0.069
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0016 0.0984
Brugia malayi sodium-independent organic anion transporter family protein 0.0197 0.0311 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0103 0.0152 0.4627
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0016 0.0984
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Echinococcus multilocularis pol protein 0.0435 0.0714 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0016 0.0159
Onchocerca volvulus 0.0035 0.0036 0.069
Onchocerca volvulus Putative organic anion transporter 0.0197 0.0311 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0018 0.0008 0.0252
Leishmania major p-glycoprotein 0.0023 0.0016 0.0798
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0016 0.0984
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Onchocerca volvulus 0.0197 0.0311 1
Onchocerca volvulus 0.0197 0.0311 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0104 0.0154 0.4969
Brugia malayi hypothetical protein 0.0197 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0152 0.4906
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0035 0.0036 0.1174
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0086 0.0124 0.1678
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0103 0.0152 0.4627
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.0197 0.0311 1
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0086 0.0124 0.3974
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Trypanosoma cruzi cysteine peptidase, putative 0.0035 0.0036 0.1174
Trypanosoma cruzi cysteine proteinase, putative 0.0018 0.0008 0.0252
Brugia malayi secreted modular calcium-binding protein 1 0.0103 0.0152 0.4906
Echinococcus granulosus cathepsin l1 0.0035 0.0036 0.1046
Schistosoma mansoni multidrug resistance protein 0.0023 0.0016 0.0275
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0016 0.0984
Brugia malayi prostaglandin transporter 0.0197 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0086 0.0124 0.3974
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0016 0.0721
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0036 0.2478
Onchocerca volvulus 0.0197 0.0311 1
Loa Loa (eye worm) ctsf protein 0.0035 0.0036 0.1174
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0545
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Toxoplasma gondii protease inhibitor PI2 0.0103 0.0152 0.4627
Entamoeba histolytica P-glycoprotein-5 0.0023 0.0016 0.0721
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0035 0.0036 0.1174
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0152 0.4906
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.0017 0.0788
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.0017 0.0545
Entamoeba histolytica P-glycoprotein-1 0.0023 0.0016 0.0721
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Onchocerca volvulus Putative organic anion transporter 0.0197 0.0311 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0086 0.0124 0.0124
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0016 0.0165
Loa Loa (eye worm) cysteine protease 0.0035 0.0036 0.1174
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0016 0.0984
Brugia malayi cathepsin L-like precursor 0.0023 0.0017 0.0545
Toxoplasma gondii transporter, major facilitator family protein 0.0197 0.0311 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0036 0.0452
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0103 0.0152 0.4906
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0016 0.0984
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0016 0.0382
Trypanosoma cruzi cruzipain precursor, putative 0.0133 0.0203 0.652
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0035 0.0036 0.0452
Echinococcus granulosus cathepsin l cysteine peptidase 0.0035 0.0036 0.1046
Echinococcus granulosus agrin 0.0103 0.0152 0.4832
Entamoeba histolytica P-glycoprotein-2, putative 0.0023 0.0016 0.0721
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0016 0.0165
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0086 0.0124 0.3819
Onchocerca volvulus Putative organic anion transporter 0.0197 0.0311 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0018 0.0008 0.0386
Entamoeba histolytica P-glycoprotein-2 0.0023 0.0016 0.0721
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0203 0.652
Schistosoma mansoni agrin 0.0103 0.0152 0.4775
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0036 0.2478
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0008 0.0252
Onchocerca volvulus 0.0197 0.0311 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.1174
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0121 0.0183 0.5891
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0016 0.0382
Echinococcus multilocularis pol protein 0.0435 0.0714 1
Trypanosoma cruzi cysteine proteinase, putative 0.0018 0.0008 0.0252
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0197 0.0311 0.4316
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0008 0.0252
Treponema pallidum cysteinyl-tRNA synthetase 0.0086 0.0124 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0103 0.0152 0.4906
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.0017 0.0301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Entamoeba histolytica P-glyco protein 6, putative 0.0023 0.0016 0.0721
Brugia malayi sodium-independent organic anion transporter family protein 0.0197 0.0311 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0043 0.0547
Onchocerca volvulus 0.0086 0.0124 0.3644
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Onchocerca volvulus Cathepsin L homolog 0.0035 0.0036 0.069
Entamoeba histolytica hypothetical protein 0.0039 0.0043 0.3064
Brugia malayi hypothetical protein 0.0039 0.0043 0.1392
Schistosoma mansoni multidrug resistance protein 0.0023 0.0016 0.0275
Entamoeba histolytica hypothetical protein 0.0039 0.0043 0.3064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Plasmodium falciparum multidrug resistance protein 1 0.0023 0.0016 0.0721
Chlamydia trachomatis cysteine--tRNA ligase 0.0086 0.0124 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) fibroinase 0.0035 0.0036 0.1174
Schistosoma mansoni multidrug resistance protein 0.0023 0.0016 0.0275
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0103 0.0152 0.4627
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0016 0.0382
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0016 0.0382
Schistosoma mansoni smdr2 0.0023 0.0016 0.0275
Brugia malayi hypothetical protein 0.0197 0.0311 1
Entamoeba histolytica hypothetical protein 0.0039 0.0043 0.3064
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0197 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0152 0.4906
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0086 0.0124 1
Schistosoma mansoni organic anion transporter 0.0197 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0545
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0203 0.652
Echinococcus granulosus cathepsin L cysteine proteinase 0.0035 0.0036 0.1046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Echinococcus granulosus cathepsin l1 0.0023 0.0017 0.0408
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0103 0.0152 0.4906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0086 0.0124 0.3974
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0036 0.0452
Plasmodium falciparum cysteine proteinase falcipain 3 0.0035 0.0036 0.2478
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0016 0.0165
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0016 0.0165
Onchocerca volvulus 0.0035 0.0036 0.069
Echinococcus multilocularis expressed protein 0.0103 0.0152 0.2086
Echinococcus multilocularis cysteine protease 0.0035 0.0036 0.0452
Echinococcus multilocularis pol protein 0.0435 0.0714 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0043 0.1267
Brugia malayi Cathepsin L-like precursor 0.0023 0.0017 0.0545
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Echinococcus multilocularis pol protein 0.0435 0.0714 1
Leishmania major cathepsin L-like protease 0.0035 0.0036 0.1801
Trichomonas vaginalis abcb9, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0545
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0197 0.0311 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Brugia malayi ABC transporter family protein 0.0023 0.0016 0.052
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0086 0.0124 0.6096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Leishmania major cathepsin L-like protease 0.0035 0.0036 0.1801
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0016 0.0165
Entamoeba histolytica cysteine protease, putative 0.0035 0.0036 0.2478
Onchocerca volvulus 0.0023 0.0017 0.0027
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0018 0.0008 0.0386
Echinococcus multilocularis cathepsin L 0.0018 0.0008 0.0048
Brugia malayi sodium-independent organic anion transporter family protein 0.0197 0.0311 1
Schistosoma mansoni hypothetical protein 0.0039 0.0043 0.117
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0036 0.0946
Brugia malayi Papain family cysteine protease containing protein 0.0035 0.0036 0.1174
Onchocerca volvulus Cathepsin F homolog 0.0035 0.0036 0.069
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Leishmania major cathepsin L-like protease 0.0035 0.0036 0.1801
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Echinococcus multilocularis cysteine protease 0.0035 0.0036 0.0452
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0016 0.0165
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0016 0.0984
Onchocerca volvulus 0.0197 0.0311 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Echinococcus multilocularis agrin 0.0103 0.0152 0.2086
Brugia malayi Cathepsin L-like precursor 0.0023 0.0017 0.0545
Loa Loa (eye worm) hypothetical protein 0.0103 0.0152 0.4906
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5915 1 1
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0016 0.0984
Leishmania major cathepsin L-like protease 0.0035 0.0036 0.1801
Plasmodium falciparum cysteine--tRNA ligase 0.0086 0.0124 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0008 0.0284
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0023 0.0016 0.0369
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Loa Loa (eye worm) agrin synaptic family protein 0.0103 0.0152 0.4906
Loa Loa (eye worm) multidrug resistance protein 3 0.0023 0.0016 0.052
Onchocerca volvulus 0.0035 0.0036 0.069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0017 0.105
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0103 0.0152 0.4627
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0023 0.0016 0.0798
Onchocerca volvulus 0.0103 0.0152 0.4627
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Echinococcus granulosus follistatin 0.0103 0.0152 0.4832
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0197 0.0311 0.4316
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Schistosoma mansoni organic anion transporter 0.0197 0.0311 1
Echinococcus granulosus cathepsin L cysteine protease 0.0018 0.0008 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0036 0.2691
Leishmania major cathepsin L-like protease 0.0133 0.0203 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0035 0.0036 0.0452
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Plasmodium vivax vivapain-2 0.0035 0.0036 0.2478
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0016 0.0382
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0103 0.0152 0.4906
Trypanosoma cruzi cysteine peptidase, putative 0.0133 0.0203 0.652
Plasmodium vivax vivapain-2 0.0035 0.0036 0.2478
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0023 0.0016 0.052
Trypanosoma cruzi cysteine protease, putative 0.0018 0.0008 0.0252
Onchocerca volvulus 0.0035 0.0036 0.069
Toxoplasma gondii cathepsin CPL 0.0035 0.0036 0.069
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0035 0.0036 0.2478
Brugia malayi multidrug resistance protein 3 0.0023 0.0016 0.052
Echinococcus granulosus cysteine protease 0.0018 0.0008 0.011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Leishmania major cysteinyl-tRNA synthetase, putative 0.0086 0.0124 0.6096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0016 0.0382
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0036 0.0946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Onchocerca volvulus 0.0035 0.0036 0.069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0017 0.105
Trichomonas vaginalis abcb9, putative 0.0023 0.0016 0.0984
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0086 0.0124 0.3644
Trichomonas vaginalis ABC transporter, putative 0.0023 0.0016 0.0984
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0008 0.0252
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0035 0.0036 0.2691
Brugia malayi Cathepsin L-like precursor 0.0035 0.0036 0.1174
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0086 0.0124 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0023 0.0016 0.0165
Leishmania major cathepsin L-like protease 0.0133 0.0203 1
Schistosoma mansoni follistatin 0.0103 0.0152 0.4775
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Echinococcus granulosus cysteinyl tRNA synthetase 0.0086 0.0124 0.3887
Leishmania major cysteine peptidase A (CPA) 0.0035 0.0036 0.1801
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Leishmania major cathepsin L-like protease 0.0133 0.0203 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0035 0.0036 0.2691
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0008 0.0284
Trichomonas vaginalis taga, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.052
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0016 0.0984
Loa Loa (eye worm) hypothetical protein 0.0197 0.0311 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0023 0.0016 0.0984
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0023 0.0016 0.0382
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0133 0.0203 1
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0103 0.0152 0.4906
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Plasmodium vivax multidrug resistance protein 1, putative 0.0023 0.0016 0.0721
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0086 0.0124 1
Plasmodium falciparum cysteine--tRNA ligase 0.0086 0.0124 1
Plasmodium vivax cysteine--tRNA ligase, putative 0.0086 0.0124 1
Onchocerca volvulus 0.0035 0.0036 0.069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0036 0.2691
Loa Loa (eye worm) hypothetical protein 0.0086 0.0124 0.3974

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 21 uM Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin ChEMBL. 10360749
EC50 (functional) = 21 uM Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin ChEMBL. 10360749
IC50 (binding) = 6.4 uM Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells ChEMBL. 10360749
IC50 (binding) = 6.4 uM Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells ChEMBL. 10360749
IC50 (functional) = 9.8 uM Antagonist activity by using human gel-filtered platelet aggregation ChEMBL. 10360749
IC50 (functional) = 9.8 uM Antagonist activity by using human gel-filtered platelet aggregation ChEMBL. 10360749

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10360749

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.