Detailed information for compound 1745268

Basic information

Technical information
  • TDR Targets ID: 1745268
  • Name: (3R)-3-[[(2S)-2-acetamido-4-hydroxy-4-oxobuta noyl]amino]-4-[[(2S,3S)-3-methyl-1-[[(2S)-3-m ethyl-1-oxo-1-[(2S)-2-[[1-oxo-1-(phenylmethyl amino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]b utan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-ox obutanoic acid
  • MW: 787.899 | Formula: C38H57N7O11
  • H donors: 8 H acceptors: 11 LogP: 1.25 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC(C(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(=O)O
  • InChi: 1S/C38H57N7O11/c1-7-13-25(33(51)39-20-24-14-10-9-11-15-24)41-36(54)28-16-12-17-45(28)38(56)31(21(3)4)43-37(55)32(22(5)8-2)44-35(53)27(19-30(49)50)42-34(52)26(18-29(47)48)40-23(6)46/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,51)(H,40,46)(H,41,54)(H,42,52)(H,43,55)(H,44,53)(H,47,48)(H,49,50)/t22-,25?,26-,27+,28-,31-,32-/m0/s1
  • InChiKey: SDJZZUWGQQRKKX-FFCWLMFUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R)-3-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-4-[[(1S,2S)-2-methyl-1-[[(1S)-2-methyl-1-[(2S)-2-[1-(phenylmethylcarbamoyl)butylcarbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]butyl]amino]-4-oxo-butanoic acid
  • (3R)-3-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-4-[[(1S,2S)-2-methyl-1-[[[(1S)-2-methyl-1-[oxo-[(2S)-2-[oxo-[1-[oxo-(phenylmethylamino)methyl]butylamino]methyl]-1-pyrrolidinyl]methyl]propyl]amino]-oxomethyl]butyl]amino]-4-oxobutanoic acid
  • (3R)-3-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-4-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[1-(benzylcarbamoyl)butylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid
  • (3R)-3-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-4-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[1-oxo-1-(phenylmethylamino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxo-pentan-2-yl]amino]-4-oxo-butanoic acid
  • AIDS-105126
  • AIDS105126
  • Ac-Aspartic acid-D-aspartic acid-Isoleucine-Valine-Proline-Norvaline-CONHBn
  • Ac-D-d-I-V-P-Nva-CONHBn

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human rhinovirus sp. Human rhinovirus A protease 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
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.005 0.0091 0.017
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0582 0.2183 0.2182
Schistosoma mansoni tyrosine kinase 0.0044 0.0069 0.0068
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Plasmodium falciparum sentrin-specific protease 1 0.0047 0.008 0.6838
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Schistosoma mansoni hypothetical protein 0.0037 0.004 0.0039
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.2573 1 1
Mycobacterium ulcerans catalase KatE 0.0073 0.0183 0.0388
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0106 0.0106
Plasmodium vivax tubulin epsilon chain, putative 0.0035 0.0031 0.1367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0076 0.0065
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Loa Loa (eye worm) glutaminase 2 0.0275 0.0976 0.0975
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Loa Loa (eye worm) hypothetical protein 0.0029 0.0011 0.001
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.0069 0.0167 0.0166
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0021 0.002
Toxoplasma gondii aurora kinase 0.005 0.0091 0.4385
Loa Loa (eye worm) hypothetical protein 0.0039 0.0047 0.0046
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0047 0.008 0.3699
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.008 0.0061
Entamoeba histolytica tubulin alpha-1 chain 0.0054 0.0106 0.0207
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.004 0.0039
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0032 0.0019 0.5
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Schistosoma mansoni tyrosine kinase 0.0044 0.0069 0.0068
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Brugia malayi Tubulin beta-1 chain 0.0054 0.0108 0.0088
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0021 0.0002
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.005 0.0091 0.008
Echinococcus multilocularis tubulin epsilon chain 0.0035 0.0031 0.002
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Entamoeba histolytica protein kinase, putative 0.005 0.0091 0.017
Echinococcus multilocularis fatty acid binding protein FABP2 0.0582 0.2183 0.2174
Echinococcus granulosus aurora kinase A 0.005 0.0091 0.0091
Schistosoma mansoni glutaminase 0.0275 0.0976 0.0975
Leishmania major protein kinase, putative 0.005 0.0091 0.0099
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0106 0.0909
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0076 0.0076
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Toxoplasma gondii alpha-tubulin I, putative 0.0054 0.0106 0.5326
Mycobacterium tuberculosis Conserved protein 0.0032 0.0019 0.5
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0106 0.0095
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Mycobacterium ulcerans glutaminase 0.0275 0.0976 0.2276
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0309 0.1109 0.1092
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0021 0.001
Toxoplasma gondii catalase 0.0073 0.0183 1
Brugia malayi tubulin alpha chain - mouse 0.0054 0.0106 0.0087
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0032 0.0019 0.5
Plasmodium falciparum tubulin beta chain 0.0054 0.0108 1
Echinococcus granulosus beta tubulin 0.0054 0.0108 0.0108
Loa Loa (eye worm) tubulin alpha 2 0.0039 0.0047 0.0046
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0032 0.0019 0.5
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis beta tubulin 0.0054 0.0108 0.0097
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis epidermal growth factor receptor 0.0073 0.0182 0.0171
Schistosoma mansoni hypothetical protein 0.2573 1 1
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Echinococcus multilocularis hypothetical protein 0.0054 0.0106 0.0095
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0177 0.0593 0.0592
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0034 0.0029 0.0106
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0008
Brugia malayi serine/threonine protein kinase 6 0.005 0.0091 0.0072
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.2573 1 1
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0032 0.0019 0.5
Leishmania major gamma-tubulin 0.0035 0.0031 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.0593 0.0574
Loa Loa (eye worm) tubulin alpha 2 0.0039 0.0047 0.0046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0258 0.091 0.0892
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.008 0.0079
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0108 0.0923
Entamoeba histolytica protein kinase domain containing protein 0.005 0.0091 0.017
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1835 0.7103 0.9828
Echinococcus multilocularis tubulin gamma 1 chain 0.0035 0.0031 0.002
Giardia lamblia Aurora kinase 0.005 0.0091 0.0142
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0582 0.2183 0.2168
Trypanosoma cruzi aurora B kinase, putative 0.005 0.0091 0.0099
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0106 0.0087
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0309 0.1109 0.1099
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Toxoplasma gondii beta-1 tubulin, putative 0.0054 0.0108 0.5409
Echinococcus multilocularis insulin receptor 0.0044 0.0069 0.0058
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Brugia malayi Tubulin gamma chain 0.0035 0.0031 0.0012
Loa Loa (eye worm) tubulin beta-2A chain 0.0054 0.0108 0.0107
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0106 0.0105
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0108 0.0923
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Loa Loa (eye worm) alpha-tubulin 0.0054 0.0106 0.0105
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0106 0.0106
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0039 0.0047 0.0046
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Plasmodium falciparum serine/threonine protein kinase, putative 0.005 0.0091 0.8107
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0044 0.0069 0.0069
Echinococcus granulosus sentrin specific protease 1 0.0047 0.008 0.008
Echinococcus granulosus tubulin beta 4A class IVa 0.0054 0.0108 0.0108
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0001 0.0001
Toxoplasma gondii beta tubulin 0.0054 0.0108 0.5409
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0108 0.0923
Trichomonas vaginalis tubulin gamma chain, putative 0.0054 0.0108 0.0923
Loa Loa (eye worm) hypothetical protein 0.0258 0.091 0.0909
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Echinococcus multilocularis geminin 0.0171 0.0565 0.0555
Loa Loa (eye worm) TK/INSR protein kinase 0.0044 0.0069 0.0068
Schistosoma mansoni fatty acid binding protein 0.0582 0.2183 0.2182
Plasmodium vivax tubulin gamma chain, putative 0.0035 0.0031 0.1367
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) tubulin beta chain 0.0054 0.0108 0.0107
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0309 0.1109 0.1109
Schistosoma mansoni protein kinase 0.005 0.0091 0.009
Echinococcus multilocularis peroxisome assembly protein 26 0.0054 0.0106 0.0095
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.008 0.0631
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0032 0.0019 0.5
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0054 0.0108 0.0097
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis sentrin specific protease 1 0.0047 0.008 0.0069
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0091 0.009
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Echinococcus granulosus tubulin alpha 1C chain 0.0054 0.0106 0.0106
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0008
Trichomonas vaginalis AGC family protein kinase 0.005 0.0091 0.0748
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Trypanosoma cruzi alpha tubulin, putative 0.0054 0.0106 0.0121
Schistosoma mansoni tyrosine kinase 0.0134 0.0421 0.0419
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Mycobacterium leprae Possible phosphoglycerate mutase 0.0032 0.0019 0.5
Schistosoma mansoni hypothetical protein 0.0171 0.0565 0.0564
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Loa Loa (eye worm) tubulin beta-4 chain 0.0054 0.0108 0.0107
Echinococcus granulosus GPCR family 2 0.0032 0.0021 0.0021
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1835 0.7103 0.9828
Loa Loa (eye worm) TK/EGFR protein kinase 0.0134 0.0421 0.0419
Echinococcus granulosus alpha tubulin 0.0054 0.0106 0.0106
Echinococcus granulosus tubulin subunit beta 0.0054 0.0108 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Brugia malayi Protein kinase domain containing protein 0.0044 0.0069 0.005
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0106 0.0909
Entamoeba histolytica tubulin gamma chain 0.0035 0.0031 0.0029
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Echinococcus granulosus tubulin subunit TubB 0.0054 0.0106 0.0106
Loa Loa (eye worm) glutaminase 0.0275 0.0976 0.0975
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Trypanosoma brucei alpha tubulin 0.0054 0.0106 0.0121
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0032 0.0019 0.5
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0032 0.0019 0.5
Schistosoma mansoni tubulin subunit alpha 0.0054 0.0106 0.0105
Echinococcus granulosus epidermal growth factor receptor 0.0134 0.0421 0.0421
Brugia malayi glutaminase DH11.1 0.0275 0.0976 0.0959
Echinococcus granulosus tubulin gamma 1 chain 0.0035 0.0031 0.0031
Plasmodium vivax tubulin beta chain, putative 0.0054 0.0108 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0189 0.0638 0.0628
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Toxoplasma gondii alpha tubulin TUBA1 0.0054 0.0106 0.5326
Echinococcus granulosus epidermal growth factor receptor 0.0073 0.0182 0.0182
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0032 0.0019 0.5
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Brugia malayi serine/threonine kinase 12 0.005 0.0091 0.0072
Echinococcus multilocularis tubulin subunit beta 0.0054 0.0108 0.0097
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0108 0.0108
Toxoplasma gondii beta-tubulin, putative 0.0054 0.0108 0.5409
Loa Loa (eye worm) hypothetical protein 0.1866 0.7226 0.7226
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0032 0.0019 0.5
Echinococcus granulosus tubulin alpha 3 chain 0.0054 0.0106 0.0106
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009
Trichomonas vaginalis glutaminase, putative 0.0275 0.0976 1
Schistosoma mansoni fatty acid binding protein 0.0582 0.2183 0.2182
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0106 0.9847
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0076 0.0075
Trypanosoma brucei epsilon tubulin 0.0035 0.0031 0.0017
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Schistosoma mansoni tubulin subunit gamma 0.0035 0.0031 0.003
Entamoeba histolytica protein kinase, putative 0.005 0.0091 0.017
Trypanosoma brucei aurora B kinase 0.005 0.0091 0.0099
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0796 0.3024 0.4169
Loa Loa (eye worm) tubulin alpha-3 chain 0.0034 0.0029 0.0028
Schistosoma mansoni phosphoglycerate mutase 0.0032 0.0019 0.0018
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0019 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0035 0.0031 0.0126
Onchocerca volvulus 0.0148 0.0476 0.0633
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0189 0.0638 0.0638
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.107 0.4098 0.4098
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.008 0.0079
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0167 0.0148
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0076 0.0076
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0106 0.0095
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.004 0.0029
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Plasmodium vivax tubulin alpha chain, putative 0.0054 0.0106 0.9847
Echinococcus granulosus peroxisome assembly protein 26 0.0054 0.0106 0.0106
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1102 0.4222 1
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0019
Echinococcus granulosus roundabout 2 0.0029 0.0011 0.0011
Echinococcus multilocularis GPCR, family 2 0.0032 0.0021 0.001
Plasmodium falciparum tubulin gamma chain 0.0035 0.0031 0.1367
Loa Loa (eye worm) AUR protein kinase 0.005 0.0091 0.009
Entamoeba histolytica hypothetical protein 0.0037 0.004 0.005
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0309 0.1109 0.1108
Echinococcus granulosus tubulin epsilon chain 0.0035 0.0031 0.0031
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0044 0.0069 0.0058
Trichomonas vaginalis tubulin gamma chain, putative 0.0035 0.0031 0.0126
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.2573 1 1
Trypanosoma brucei beta tubulin 0.0035 0.0031 0.0017
Echinococcus granulosus fatty acid binding protein FABP2 0.0582 0.2183 0.2183
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.0054 0.0106 0.0105
Loa Loa (eye worm) hypothetical protein 0.0047 0.008 0.0079
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.005 0.0091 0.017
Echinococcus multilocularis tubulin subunit TubB 0.0054 0.0106 0.0095
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Loa Loa (eye worm) hypothetical protein 0.0069 0.0167 0.0166
Trypanosoma cruzi tubulin gamma chain 0.0035 0.0031 0.0017
Echinococcus multilocularis fatty acid binding protein FABP2 0.0582 0.2183 0.2174
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Schistosoma mansoni hypothetical protein 0.0171 0.0565 0.0564
Brugia malayi Tubulin alpha-2 chain 0.0054 0.0106 0.0087
Giardia lamblia Hypothetical protein 0.1102 0.4222 1
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Loa Loa (eye worm) tubulin alpha-2 chain 0.0054 0.0106 0.0105
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0073 0.0182 0.0182
Schistosoma mansoni tyrosine kinase 0.007 0.017 0.0169
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.2573 1 1
Treponema pallidum phosphoglyceromutase 0.0032 0.0019 0.5
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0028
Mycobacterium leprae probable isochorismate synthase EntC 0.0032 0.0019 0.5
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Brugia malayi hypothetical protein 0.0037 0.004 0.0021
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Plasmodium vivax serine/threonine protein kinase 6, putative 0.005 0.0091 0.8107
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0054 0.0106 0.0909
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Entamoeba histolytica protein kinase , putative 0.005 0.0091 0.017
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Entamoeba histolytica tubulin family protein 0.0054 0.0108 0.021
Loa Loa (eye worm) phosphoglycerate mutase 0.0032 0.0019 0.0018
Trypanosoma cruzi epsilon tubulin, putative 0.0035 0.0031 0.0017
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Schistosoma mansoni 6-phosphofructokinase 0.1866 0.7226 0.7226
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0106 0.0105
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0032 0.0019 0.5
Schistosoma mansoni alpha tubulin 0.0054 0.0106 0.0105
Trypanosoma cruzi epsilon tubulin, putative 0.0035 0.0031 0.0017
Echinococcus granulosus serine:threonine protein kinase 12 B 0.005 0.0091 0.0091
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.1866 0.7226 0.7226
Echinococcus multilocularis epidermal growth factor receptor 0.0134 0.0421 0.041
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1835 0.7103 0.9828
Plasmodium falciparum tubulin epsilon chain, putative 0.0035 0.0031 0.1367
Brugia malayi serine/threonine-protein kinase 6 0.005 0.0091 0.0072
Trichomonas vaginalis tubulin, putative 0.0054 0.0108 0.0923
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Echinococcus multilocularis aurora kinase A 0.005 0.0091 0.008
Echinococcus multilocularis tubulin alpha 0.0035 0.0031 0.002
Loa Loa (eye worm) tubulin beta-1 chain 0.0054 0.0108 0.0107
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Brugia malayi Furin-like cysteine rich region family protein 0.0134 0.0421 0.0402
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Trichomonas vaginalis tubulin alpha chain, putative 0.0035 0.0031 0.0126
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0039 0.0047 0.0293
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0108 0.0107
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.1835 0.7103 0.7102
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1102 0.4222 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Schistosoma mansoni tyrosine kinase 0.0073 0.0182 0.018
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0035 0.0031 0.0739
Echinococcus multilocularis 0.0041 0.0055 0.0044
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0796 0.3024 0.4169
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.005 0.0091 0.017
Loa Loa (eye worm) hypothetical protein 0.0032 0.0021 0.002
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Mycobacterium tuberculosis Conserved protein 0.0032 0.0019 0.5
Echinococcus multilocularis Tubulin alpha 1 chain 0.0054 0.0106 0.0095
Loa Loa (eye worm) beta-tubulin 0.0054 0.0108 0.0107
Echinococcus multilocularis beta tubulin 0.0054 0.0108 0.0097
Giardia lamblia Alpha-tubulin 0.0054 0.0106 0.0179
Onchocerca volvulus 0.1866 0.7226 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0021 0.0002
Entamoeba histolytica tubulin alpha chain, putative 0.0054 0.0106 0.0207
Echinococcus granulosus Tubulin alpha 1 chain 0.0054 0.0106 0.0106
Entamoeba histolytica tubulin family protein 0.0054 0.0108 0.021
Leishmania major alpha tubulin 0.0054 0.0106 0.0121
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0076 0.0065
Giardia lamblia Alpha-tubulin 0.0054 0.0106 0.0179
Echinococcus multilocularis tubulin alpha 3 chain 0.0054 0.0106 0.0095
Giardia lamblia Beta tubulin 0.0054 0.0108 0.0182
Schistosoma mansoni hypothetical protein 0.0032 0.0021 0.002
Loa Loa (eye worm) tubulin alpha chain 0.0054 0.0106 0.0105
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus granulosus insulin receptor 0.0044 0.0069 0.0069
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.004 0.004
Echinococcus granulosus tubulin alpha chain 0.0054 0.0106 0.0106
Trypanosoma brucei tubulin gamma chain 0.0035 0.0031 0.0017
Echinococcus granulosus phosphoglycerate mutase 0.0032 0.0019 0.0019
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0309 0.1109 0.1108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0293 0.0274
Schistosoma mansoni phosphoglycerate mutase 0.0032 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.0032 0.0019 0.0018
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0106 0.0909
Plasmodium falciparum alpha tubulin 1 0.0054 0.0106 0.9847
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.008 0.0144
Mycobacterium ulcerans hypothetical protein 0.1102 0.4222 1
Loa Loa (eye worm) tubulin gamma chain 0.0035 0.0031 0.003
Echinococcus granulosus beta tubulin 0.0054 0.0108 0.0108
Echinococcus granulosus tubulin beta 1 chain 0.0054 0.0108 0.0108
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1835 0.7103 0.9828
Echinococcus granulosus geminin 0.0171 0.0565 0.0565
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0108 0.0097
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1866 0.7226 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0018
Plasmodium vivax sentrin-specific protease 1, putative 0.0047 0.008 0.6838
Brugia malayi beta-tubulin, identical 0.0054 0.0108 0.0088
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1866 0.7226 0.7223
Schistosoma mansoni tyrosine kinase 0.0073 0.0182 0.018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0076 0.0075
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0108 0.0923
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Echinococcus multilocularis phosphoglycerate mutase 0.0032 0.0019 0.0008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0293 0.0292
Schistosoma mansoni tubulin subunit epsilon 0.0035 0.0031 0.003
Brugia malayi tubulin alpha-2 chain 0.0054 0.0106 0.0087
Echinococcus multilocularis tubulin beta 1 chain 0.0054 0.0108 0.0097
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0032 0.0019 0.5
Echinococcus granulosus fatty acid binding protein FABP2 0.0582 0.2183 0.2183
Echinococcus granulosus tubulin alpha 0.0035 0.0031 0.0031
Brugia malayi Tubulin alpha chain 0.0054 0.0106 0.0087
Leishmania major beta tubulin 0.0054 0.0108 0.0123
Onchocerca volvulus Tyrosine kinase homolog 0.0153 0.0497 0.0663
Trypanosoma brucei beta tubulin 0.0054 0.0108 0.0123
Plasmodium falciparum alpha tubulin 2 0.0054 0.0106 0.9847
Loa Loa (eye worm) hypothetical protein 0.0029 0.0011 0.001
Leishmania major epsilon tubulin, putative 0.0035 0.0031 0.0017
Brugia malayi alpha-tubulin 0.0054 0.0106 0.0087
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0019 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0021 0.0021
Echinococcus multilocularis tubulin alpha chain 0.0054 0.0106 0.0095
Trypanosoma cruzi beta tubulin, putative 0.0054 0.0108 0.0123
Giardia lamblia Hypothetical protein 0.1102 0.4222 1
Schistosoma mansoni tubulin subunit beta 0.0054 0.0108 0.0107
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0076 0.0057
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0032 0.0019 0.0019
Echinococcus multilocularis tubulin alpha 1C chain 0.0054 0.0106 0.0095

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.64 uM Inhibitory concentration against Protease ChEMBL. 10669559

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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