Detailed information for compound 994819

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.566 | Formula: C25H37NO4
  • H donors: 2 H acceptors: 3 LogP: 5.32 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(NC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)CO
  • InChi: 1S/C25H37NO4/c1-7-30-24(29)22(17-27)26-23(28)16-19(3)11-8-10-18(2)13-14-21-20(4)12-9-15-25(21,5)6/h8,10-11,13-14,16,22,27H,7,9,12,15,17H2,1-6H3,(H,26,28)/b11-8+,14-13+,18-10+,19-16+
  • InChiKey: MTNUSKFERXRZPJ-DXJCHIHNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0047 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0047 0.0125
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3558 0.6105 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.116 0.1974 0.3227
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0439 0.0731 0.119
Plasmodium falciparum protoporphyrinogen oxidase 0.0126 0.0192 0.4551
Brugia malayi Subtilase family protein 0.0256 0.0417 0.0413
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Loa Loa (eye worm) hypothetical protein 0.0042 0.0047 0.0042
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0439 0.0731 1
Trichomonas vaginalis conserved hypothetical protein 0.0256 0.0417 0.0675
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Trypanosoma cruzi UDP-galactopyranose mutase 0.0126 0.0192 0.2228
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0065 0.0087 0.0087
Schistosoma mansoni site-1 peptidase (S08 family) 0.0256 0.0417 0.0417
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0125 0.019 0.0186
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0047 0.0058
Mycobacterium ulcerans dehydrogenase 0.0126 0.0192 0.4078
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0126 0.0192 0.4551
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0005 0.0006
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus granulosus Estrogen regulated protein EP45 0.0017 0.0004 0.0004
Echinococcus multilocularis chromatin regulatory protein sir2 0.0439 0.0731 0.0914
Brugia malayi NAD-dependent deacetylase SIRT1 0.0065 0.0087 0.0082
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0065 0.0087 0.0108
Echinococcus granulosus furin 0.5818 1 1
Leishmania major UDP-galactopyranose mutase 0.0126 0.0192 0.258
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.116 0.1974 0.3227
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0038 0.0453
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0005 0.0006
Schistosoma mansoni chromatin regulatory protein sir2 0.0065 0.0087 0.0087
Trypanosoma cruzi oligopeptidase b 0.0052 0.0065 0.0391
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0002 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0083 0.0118 0.0118
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0065 0.0087 0.1978
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Echinococcus granulosus plasminogen activator inhibitor 2 0.0017 0.0004 0.0004
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0621 0.1045 0.1306
Trypanosoma brucei SIR2-like protein 4, putative 0.0065 0.0087 0.1121
Brugia malayi SWIRM domain containing protein 0.0673 0.1135 0.1132
Loa Loa (eye worm) hypothetical protein 0.0065 0.0087 0.0082
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0256 0.0417 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0052 0.0065 0.0875
Schistosoma mansoni furin-1 (S08 family) 0.2517 0.4311 0.4311
Echinococcus granulosus neuropeptide receptor A26 0.0522 0.0875 0.0875
Echinococcus multilocularis neuropeptide s receptor 0.0522 0.0875 0.1093
Loa Loa (eye worm) hypothetical protein 0.0126 0.0192 0.0188
Schistosoma mansoni serpin 0.0017 0.0004 0.0004
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Echinococcus multilocularis Furin 1 0.1416 0.2415 0.3019
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0256 0.0417 0.0521
Schistosoma mansoni serpin 0.0017 0.0004 0.0004
Brugia malayi Inositol-1 0.0037 0.0038 0.0034
Schistosoma mansoni chromatin regulatory protein sir2 0.0439 0.0731 0.0731
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0053 0.0065 0.0082
Onchocerca volvulus CoRest homolog 0.0169 0.0266 0.2312
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0047 0.0125
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0256 0.0417 0.5464
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0256 0.0417 1
Loa Loa (eye worm) endoprotease bli-4 0.5818 1 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0017 0.0005 0.0001
Loa Loa (eye worm) hypothetical protein 0.0621 0.1045 0.1041
Loa Loa (eye worm) hypothetical protein 0.0126 0.0192 0.0188
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0126 0.0192 0.4078
Giardia lamblia Hypothetical protein 0.0439 0.0731 0.1985
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Echinococcus granulosus chromatin regulatory protein sir2 0.0439 0.0731 0.0731
Schistosoma mansoni SWI/SNF complex-related 0.0053 0.0065 0.0065
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Echinococcus multilocularis serine:threonine protein kinase N2 0.0076 0.0105 0.0132
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.3558 0.6105 0.763
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0125 0.019 0.0186
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0001
Trypanosoma cruzi prolyl endopeptidase 0.0132 0.0202 0.2361
Schistosoma mansoni protein kinase 0.0142 0.022 0.022
Mycobacterium ulcerans NAD-dependent deacetylase 0.0065 0.0087 0.1281
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0053 0.0065 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0083 0.0118 0.0113
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0047 0.0573
Brugia malayi neuroendocrine convertase 1 precursor 0.3677 0.631 0.6309
Entamoeba histolytica protein kinase, putative 0.0019 0.0007 0.004
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0002 0.0002
Echinococcus granulosus epidermal growth factor receptor 0.0276 0.045 0.045
Brugia malayi Myb-like DNA-binding domain containing protein 0.0164 0.0258 0.0253
Echinococcus granulosus prolyl endopeptidase 0.0132 0.0202 0.0202
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus multilocularis protoporphyrinogen oxidase 0.0126 0.0192 0.024
Trichomonas vaginalis conserved hypothetical protein 0.0256 0.0417 0.0675
Echinococcus granulosus neuroendocrine convertase 2 0.3677 0.631 0.631
Giardia lamblia High cysteine membrane protein Group 2 0.2141 0.3665 1
Trichomonas vaginalis conserved hypothetical protein 0.0256 0.0417 0.0675
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0017 0.0005 0.0005
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0256 0.0417 0.567
Giardia lamblia Furin precursor putative serine protease 0.116 0.1974 0.5381
Loa Loa (eye worm) proprotein convertase 2 0.1416 0.2415 0.2412
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0047 0.0058
Echinococcus multilocularis prolyl endopeptidase 0.0132 0.0202 0.0252
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0256 0.0417 0.0413
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0132 0.0202 0.2707
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0047 0.0068
Onchocerca volvulus 0.0058 0.0075 0.0624
Brugia malayi prolyl oligopeptidase family protein 0.0132 0.0202 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Loa Loa (eye worm) WD40 repeat protein 0.0068 0.0092 0.0088
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0126 0.0192 0.4562
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0065 0.0099
Trypanosoma brucei prolyl endopeptidase 0.0132 0.0202 0.2707
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0256 0.0417 0.0417
Brugia malayi Will die slowly protein 0.0068 0.0092 0.0088
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Echinococcus granulosus geminin 0.0168 0.0264 0.0264
Schistosoma mansoni protein kinase 0.0142 0.022 0.022
Echinococcus multilocularis Estrogen regulated protein EP45 0.0017 0.0004 0.0005
Plasmodium vivax subtilisin-like serine protease, putative 0.0256 0.0417 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0256 0.0417 0.0417
Trypanosoma cruzi oligopeptidase b 0.0052 0.0065 0.0391
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.0091 0.1198
Schistosoma mansoni amine oxidase 0.0126 0.0192 0.0192
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0038 0.0453
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0126 0.0192 0.4179
Plasmodium falciparum plasmepsin V 0.0127 0.0194 0.4592
Plasmodium vivax NAD-dependent deacetylase, putative 0.0065 0.0087 0.1978
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0439 0.0731 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0142 0.022 0.0275
Brugia malayi Cam kinase protein 1 0.0017 0.0005 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0439 0.0731 1
Toxoplasma gondii subtilisin SUB7 0.0256 0.0417 1
Leishmania major silent information regulator 2, putative 0.0439 0.0731 1
Entamoeba histolytica hypothetical protein, conserved 0.0065 0.0087 0.1131
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0047 0.0047
Echinococcus multilocularis protein will die slowly 0.0068 0.0092 0.0115
Plasmodium vivax hypothetical protein, conserved 0.0126 0.0192 0.4551
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Mycobacterium ulcerans monoamine oxidase 0.0126 0.0192 0.4078
Plasmodium falciparum subtilisin-like protease 1 0.0256 0.0417 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0126 0.0192 0.4179
Loa Loa (eye worm) inositol-1 0.0037 0.0038 0.0034
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0047 0.0068
Echinococcus multilocularis membrane bound transcription factor site 1 0.0256 0.0417 0.0521
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1245 0.2121 0.2121
Brugia malayi SWIRM domain containing protein 0.0053 0.0065 0.0061
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0038 0.0054
Echinococcus granulosus lysine specific histone demethylase 1A 0.0126 0.0192 0.0192
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Brugia malayi proprotein convertase 2 0.3677 0.631 0.6309
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0065 0.0087 0.0108
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0065 0.0087 0.1121
Loa Loa (eye worm) hypothetical protein 0.0673 0.1135 0.1132
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0017 0.0005 0.0001
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0126 0.0192 0.4551
Loa Loa (eye worm) hypothetical protein 0.5818 1 1
Toxoplasma gondii subtilisin SUB8 0.0256 0.0417 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0126 0.0192 0.4551
Onchocerca volvulus 0.0673 0.1135 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0256 0.0417 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0126 0.0192 0.4179
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0256 0.0417 0.0413
Toxoplasma gondii prolyl endopeptidase 0.0132 0.0202 0.4785
Echinococcus multilocularis epidermal growth factor receptor 0.0276 0.045 0.0563
Brugia malayi protein kinase C II. 0.0083 0.0118 0.0113
Toxoplasma gondii histone deacetylase SIR2-like 0.0065 0.0087 0.1994
Echinococcus multilocularis calcium dependent protein kinase 0.0017 0.0004 0.0005
Trypanosoma brucei subtilisin peptidase 0.0256 0.0417 0.567
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus granulosus serine protease inhibitor 0.0017 0.0004 0.0004
Trichomonas vaginalis WD repeat domain, putative 0.0068 0.0092 0.0143
Trypanosoma brucei oligopeptidase b 0.0052 0.0065 0.0827
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0126 0.0192 0.4551
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0065 0.0087 0.0133
Trichomonas vaginalis conserved hypothetical protein 0.0256 0.0417 0.0675
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0256 0.0417 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Brugia malayi transcriptional regulator, Sir2 family protein 0.0065 0.0087 0.0082
Schistosoma mansoni site-1 peptidase (S08 family) 0.0256 0.0417 0.0417
Echinococcus multilocularis neuropeptide receptor A26 0.0522 0.0875 0.1093
Toxoplasma gondii subtilisin SUB1 0.0256 0.0417 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0439 0.0731 0.0731
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Echinococcus multilocularis geminin 0.0168 0.0264 0.033
Echinococcus granulosus Estrogen regulated protein EP45 0.0017 0.0004 0.0004
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0047 0.0058
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0016 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0168 0.0264 0.0264
Schistosoma mansoni hypothetical protein 0.0168 0.0264 0.0264
Echinococcus granulosus serine protease inhibitor 0.0017 0.0004 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0065 0.0099
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0256 0.0417 1
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0017 0.0005 0.0001
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0126 0.0192 0.4078
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0047 0.0047
Toxoplasma gondii subtilisin SUB2 0.0256 0.0417 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0038 0.0464
Leishmania major subtilisin-like serine peptidase 0.0256 0.0417 0.567
Mycobacterium ulcerans oxidoreductase 0.0126 0.0192 0.4078
Onchocerca volvulus Prolyl endopeptidase homolog 0.0132 0.0202 0.1744
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0038 0.0038
Loa Loa (eye worm) transcriptional regulator 0.0065 0.0087 0.0082
Leishmania major sir2-family protein-like protein 0.0065 0.0087 0.1121
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0256 0.0417 1
Echinococcus multilocularis 0.4658 0.8001 1
Brugia malayi Furin-like cysteine rich region family protein 0.0276 0.045 0.0446
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0038 0.0047
Schistosoma mansoni hypothetical protein 0.116 0.1974 0.1974
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0017 0.0005 0.002
Brugia malayi amine oxidase, flavin-containing family protein 0.0179 0.0283 0.0279
Loa Loa (eye worm) hypothetical protein 0.0169 0.0266 0.0262
Onchocerca volvulus 0.0068 0.0092 0.0777
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3558 0.6105 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0052 0.0065 0.0391
Toxoplasma gondii subtilisin SUB4 0.0256 0.0417 1
Toxoplasma gondii histone lysine-specific demethylase 0.0126 0.0192 0.4562
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.0047 0.0583
Schistosoma mansoni chromatin regulatory protein sir2 0.0065 0.0087 0.0087
Schistosoma mansoni hypothetical protein 0.0068 0.0092 0.0092
Echinococcus granulosus serine:threonine protein kinase N2 0.0068 0.0091 0.0091
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0017 0.0005 0.002
Giardia lamblia hypothetical protein 0.0053 0.0065 0.0167
Loa Loa (eye worm) hypothetical protein 0.0132 0.0202 0.0197
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0061
Plasmodium vivax subtilisin-like protease 2, putative 0.0256 0.0417 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0132 0.0202 0.0202
Plasmodium vivax plasmepsin V, putative 0.0127 0.0194 0.4592
Brugia malayi transcriptional regulator, Sir2 family protein 0.0065 0.0087 0.0082
Chlamydia trachomatis protoporphyrinogen oxidase 0.0126 0.0192 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.0283 0.0279
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0065 0.0087 0.1121
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0047 0.0047
Echinococcus granulosus membrane bound transcription factor site 1 0.0256 0.0417 0.0417
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0263 0.0429 0.0425
Loa Loa (eye worm) hypothetical protein 0.0164 0.0258 0.0253
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0038 0.0817
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0065 0.0087 0.1131
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0052 0.0065 0.0827
Onchocerca volvulus 0.0256 0.0417 0.3645
Plasmodium falciparum subtilisin-like protease 2 0.0256 0.0417 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0047 0.0047
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0065 0.0087 0.0108
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0256 0.0417 1
Brugia malayi follicle stimulating hormone receptor 0.0263 0.0429 0.0425
Echinococcus granulosus protein kinase c epsilon type 0.0083 0.0118 0.0118
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0256 0.0417 0.5464
Trypanosoma brucei prolyl oligopeptidase, putative 0.0052 0.0065 0.0827
Schistosoma mansoni chromatin regulatory protein sir2 0.0439 0.0731 0.0731
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0256 0.0417 0.0417
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.116 0.1974 0.3227
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0439 0.0731 0.0914
Loa Loa (eye worm) TK/EGFR protein kinase 0.0276 0.045 0.0446
Echinococcus granulosus calcium dependent protein kinase 0.0017 0.0004 0.0004
Loa Loa (eye worm) subtilase 0.0256 0.0417 0.0413
Giardia lamblia Transcriptional regulator, Sir2 family 0.0065 0.0087 0.0225
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.3558 0.6105 0.6105
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0621 0.1045 0.1045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0038 0.5
Giardia lamblia Sirtuin type 2 0.0065 0.0087 0.0225
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0142 0.022 0.022
Toxoplasma gondii subtilisin SUB9 0.0256 0.0417 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0087 0.1978
Echinococcus granulosus lysine specific histone demethylase 1A 0.0621 0.1045 0.1045
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0052 0.0065 0.0716
Loa Loa (eye worm) transcriptional regulator 0.0065 0.0087 0.0082
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0047 0.0042
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0256 0.0417 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.0047 0.0573
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0017 0.0005 0.002
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0126 0.0192 0.4078
Trypanosoma cruzi subtilisin peptidase 0.0256 0.0417 0.5464
Entamoeba histolytica SWIRM domain protein 0.0053 0.0065 0.0842
Entamoeba histolytica SWIRM domain protein 0.0053 0.0065 0.0842
Echinococcus granulosus protein will die slowly 0.0068 0.0092 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0052 0.0065 0.0391
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0052 0.0065 0.0875
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Schistosoma mansoni chromatin regulatory protein sir2 0.0065 0.0087 0.0087
Echinococcus granulosus neuropeptide s receptor 0.0522 0.0875 0.0875
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0621 0.1045 0.1041
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0065 0.0087 0.0087
Toxoplasma gondii subtilisin SUB12 0.0256 0.0417 1
Trichomonas vaginalis conserved hypothetical protein 0.0256 0.0417 0.0675
Plasmodium vivax subtilisin-like protease 1 0.0256 0.0417 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0226 0.0365 0.0365
Schistosoma mansoni serine protease inhibitors serpins 0.0017 0.0004 0.0004
Brugia malayi hypothetical protein 0.0126 0.0192 0.0188
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0065 0.0087 0.1431
Echinococcus multilocularis serine protease inhibitor 0.0017 0.0004 0.0005
Schistosoma mansoni chromatin regulatory protein sir2 0.0439 0.0731 0.0731
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0047 0.0068
Echinococcus multilocularis 0.0126 0.0192 0.024
Plasmodium vivax hypothetical protein, conserved 0.0126 0.0192 0.4551
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0065 0.0087 0.0087
Toxoplasma gondii subtilisin SUB10 0.0256 0.0417 1
Echinococcus multilocularis protein kinase c epsilon type 0.0083 0.0118 0.0147
Schistosoma mansoni chromatin regulatory protein sir2 0.0065 0.0087 0.0087
Schistosoma mansoni amine oxidase 0.0126 0.0192 0.0192
Toxoplasma gondii subtilisin SUB11 0.0256 0.0417 1
Loa Loa (eye worm) hypothetical protein 0.226 0.387 0.3867
Schistosoma mansoni tyrosine kinase 0.0276 0.045 0.045
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0439 0.0731 1
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0256 0.0417 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0065 0.0087 0.07
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0065 0.0087 0.0225
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0439 0.0731 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0065 0.0087 0.07
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.1416 0.2415 0.2415
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0065 0.0087 0.1978
Trypanosoma cruzi UDP-galactopyranose mutase 0.0126 0.0192 0.2228
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Mycobacterium ulcerans Sir2-like regulatory protein 0.0065 0.0087 0.1281
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0439 0.0731 0.119
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1416 0.2415 0.3951
Toxoplasma gondii subtilisin SUB6 0.0256 0.0417 1
Schistosoma mansoni protein kinase 0.0142 0.022 0.022
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0126 0.0192 0.0192
Brugia malayi transcriptional regulator, Sir2 family protein 0.0439 0.0731 0.0727
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0017 0.0005 0.0006
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0065 0.0087 0.1131
Echinococcus granulosus serine protease inhibitor 0.0017 0.0004 0.0004
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0256 0.0417 0.0675
Entamoeba histolytica hypothetical protein 0.0053 0.0065 0.0842
Echinococcus granulosus Furin 1 0.1416 0.2415 0.2415
Leishmania major oligopeptidase b 0.0052 0.0065 0.0827
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0038 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.116 0.1974 0.3227
Mycobacterium tuberculosis Probable peptidase 0.0052 0.0065 0.0875
Schistosoma mansoni inositol monophosphatase 0.0037 0.0038 0.0038
Echinococcus multilocularis Estrogen regulated protein EP45 0.0017 0.0004 0.0005
Loa Loa (eye worm) sirtuin 4 0.0065 0.0087 0.0082
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0132 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0256 0.0417 0.0413
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0052 0.0065 0.0827
Echinococcus granulosus Protein kinase C brain isozyme 0.0016 0.0002 0.0002
Schistosoma mansoni inositol monophosphatase 0.0037 0.0038 0.0038
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0017 0.0005 0.0005
Echinococcus multilocularis serine protease inhibitor 0.0017 0.0004 0.0005
Toxoplasma gondii aspartyl protease ASP5 0.0116 0.0175 0.4131
Brugia malayi celfurPC protein 0.4658 0.8001 0.8
Toxoplasma gondii SWIRM domain-containing protein 0.0053 0.0065 0.1484
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0118 0.0178 0.3801
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.5818 1 1
Mycobacterium leprae Possible secreted protease 0.0256 0.0417 1
Entamoeba histolytica protein kinase, putative 0.0017 0.0005 0.0011
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0038 0.0054
Echinococcus multilocularis neuroendocrine convertase 2 0.3677 0.631 0.7887
Plasmodium falciparum subtilisin-like protease 3 0.0256 0.0417 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0017 0.0005 0.0005
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0256 0.0417 0.5464
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0047 0.0047
Loa Loa (eye worm) transcriptional regulator 0.0439 0.0731 0.0727
Toxoplasma gondii histone deacetylase SIR2 0.0065 0.0087 0.1994
Toxoplasma gondii subtilisin SUB5 0.0256 0.0417 1
Trichomonas vaginalis hypothetical protein 0.116 0.1974 0.3227

Activities

Activity type Activity value Assay description Source Reference
%max (functional) = 14 % Neuroprotective effect against glutamate-induced neuronal cell death in mouse HT22 cells assessed as cell survival at 1 to 10 uM treated simultaneously with glutamate after 24 hrs by MTT assay ChEMBL. 19537799
%max (functional) = 45 % Neuroprotective effect against iodoacetic acid-induced ischemia in mouse HT22 cells assessed as cell survival at 1 to 10 uM treated simultaneously with iodoacetic acid for 2 hrs followed by incubation in fresh medium containing drug alone for 20 hrs measured after 4 hrs by MTT assay ChEMBL. 19537799
EC50 (functional) = 11.6 uM Neuroprotective effect against iodoacetic acid-induced ischemia in mouse HT22 cells treated simultaneously with iodoacetic acid for 2 hrs followed by incubation in fresh medium containing drug alone for 20 hrs measured after 4 hrs by MTT assay ChEMBL. 19537799

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 19537799

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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