Detailed information for compound 110132

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.395 | Formula: C21H20N2O4
  • H donors: 2 H acceptors: 4 LogP: 2.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N[C@@H]1c2cc(C#N)ccc2C(=O)C([C@H]1O)(C)C
  • InChi: 1S/C21H20N2O4/c1-21(2)18(24)15-9-4-12(11-22)10-16(15)17(19(21)25)23-20(26)13-5-7-14(27-3)8-6-13/h4-10,17,19,25H,1-3H3,(H,23,26)/t17-,19+/m1/s1
  • InChiKey: JDMALPIZRLQLLY-MJGOQNOKSA-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
Entamoeba histolytica hypothetical protein 0.0038 0.0076 0.2291
Echinococcus granulosus lamin 0.0031 0.0055 0.0055
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0018 0.001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0113 0.0121
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0018 0.0012
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Brugia malayi hypothetical protein 0.0038 0.0076 0.0076
Echinococcus multilocularis lamin 0.0031 0.0055 0.0055
Echinococcus multilocularis cysteine protease 0.0019 0.0018 0.0012
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0041 0.1761
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0133 0.8783
Leishmania major cathepsin L-like protease 0.0019 0.0018 0.0008
Entamoeba histolytica hypothetical protein 0.0038 0.0076 0.2291
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0018 0.0012
Loa Loa (eye worm) hypothetical protein 0.3401 1 1
Brugia malayi CXXC zinc finger family protein 0.0032 0.0057 0.0057
Echinococcus granulosus importin subunit beta 1 0.0063 0.0149 0.0163
Leishmania major importin beta-1 subunit, putative 0.0051 0.0113 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0069 0.0927
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0069 0.3909
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0066 0.0066
Echinococcus granulosus cathepsin l1 0.0019 0.0018 0.0012
Schistosoma mansoni importin beta-1 0.0063 0.0149 0.0161
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0149 0.0164
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0113 0.0121
Trichomonas vaginalis ran, putative 0.0046 0.01 0.1483
Schistosoma mansoni hypothetical protein 0.0038 0.0076 0.0077
Leishmania major GTP-binding protein, putative 0.0046 0.01 0.0091
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0016 0.0011
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0673 0.1949 0.1944
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0036 0.0034
Onchocerca volvulus 0.0206 0.0571 0.0637
Echinococcus granulosus cpg binding protein 0.0036 0.0068 0.007
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0055 0.0049
Echinococcus multilocularis musashi 0.0031 0.0055 0.0055
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0055 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Brugia malayi Muscleblind-like protein 0.0268 0.0752 0.0752
Schistosoma mansoni hypothetical protein 0.0016 0.0011 0.0002
Schistosoma mansoni ran 0.0046 0.01 0.0104
Schistosoma mansoni hypothetical protein 0.0558 0.1608 0.184
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0011 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0041 0.0037
Echinococcus multilocularis geminin 0.0558 0.1608 0.1842
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0018 0.001
Schistosoma mansoni hypothetical protein 0.0025 0.0037 0.0032
Toxoplasma gondii exonuclease III APE 0.0058 0.0133 0.8627
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.0406 0.0459
Echinococcus multilocularis GPCR, family 2 0.0016 0.0011 0.0004
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.0273 0.0306
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0011 0.0011
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0128 0.8439
Echinococcus granulosus vesicular acetylcholine transporter 0.296 0.8699 1
Schistosoma mansoni ap endonuclease 0.0058 0.0133 0.0142
Leishmania major cathepsin L-like protease 0.0071 0.0172 0.0163
Brugia malayi RNA, U transporter 1 0.0179 0.0492 0.0492
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0014 0.0008
Onchocerca volvulus 0.0027 0.0041 0.0027
Leishmania major cathepsin L-like protease 0.0071 0.0172 0.0163
Schistosoma mansoni microtubule-associated protein tau 0.2335 0.6852 0.7875
Schistosoma mansoni hypothetical protein 0.0016 0.0011 0.0002
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0018 0.0012
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0012 0.0007
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0011 0.0004
Schistosoma mansoni patched 1 0.0045 0.0096 0.01
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0172 0.0163
Leishmania major cathepsin L-like protease 0.0019 0.0018 0.0008
Echinococcus multilocularis muscleblind protein 1 0.0268 0.0752 0.0857
Leishmania major cathepsin L-like protease 0.0019 0.0018 0.0008
Entamoeba histolytica hypothetical protein 0.0036 0.0069 0.2006
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.296 0.8699 0.8698
Echinococcus multilocularis transcription factor btf3 0.0036 0.0069 0.0071
Echinococcus multilocularis vesicular acetylcholine transporter 0.296 0.8699 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0012
Schistosoma mansoni hypothetical protein 0.0035 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.1739 0.5093 0.509
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.01 0.6143
Schistosoma mansoni vesicular acetylcholine transporter 0.296 0.8699 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.01 0.0106
Onchocerca volvulus 0.0031 0.0055 0.0043
Loa Loa (eye worm) hypothetical protein 0.0046 0.0098 0.0092
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0018 0.0012
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0149 0.014
Brugia malayi beta-NAC-like protein 0.0036 0.0069 0.0069
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0069 0.006
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0172 0.0163
Brugia malayi exodeoxyribonuclease III family protein 0.0058 0.0133 0.0133
Brugia malayi CHE-14 protein 0.0045 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0558 0.1608 0.184
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0058 0.0133 0.0145
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0149 0.014
Echinococcus multilocularis zinc finger protein 0.0022 0.0027 0.0023
Leishmania major cathepsin L-like protease 0.0019 0.0018 0.0008
Loa Loa (eye worm) hypothetical protein 0.0056 0.0128 0.0123
Trichomonas vaginalis set domain proteins, putative 0.0206 0.0571 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0031 0.0055 0.0049
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.01 0.0091
Schistosoma mansoni hypothetical protein 0.0044 0.0091 0.0094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Loa Loa (eye worm) hypothetical protein 0.0044 0.0093 0.0087
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0014 0.0008
Leishmania major cathepsin L-like protease 0.0071 0.0172 0.0163
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0181 0.0497 0.0492
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0114 0.0114
Echinococcus multilocularis expressed conserved protein 0.0099 0.0254 0.0284
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0041 0.0037
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0018 0.0012
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0113 0.1735
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0128 0.8289
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.0273 0.0273
Echinococcus granulosus microtubule associated protein 2 0.2335 0.6852 0.7876
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0057 0.0051
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Leishmania major C-8 sterol isomerase-like protein 0.3401 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0058 0.0133 0.0124
Onchocerca volvulus 0.0031 0.0055 0.0043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0113 0.0121
Schistosoma mansoni ap endonuclease 0.0058 0.0133 0.0142
Schistosoma mansoni hypothetical protein 0.0016 0.0011 0.0002
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.01 0.01
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0076 0.0079
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0127 0.0118
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0076 0.0077
Echinococcus granulosus intermediate filament protein 0.0031 0.0055 0.0055
Echinococcus multilocularis protein dispatched 1 0.0052 0.0115 0.0124
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0133 0.2083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0113 0.0107
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0128 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0044 0.0093 0.0096
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.01 0.0106
Loa Loa (eye worm) ctsf protein 0.0019 0.0018 0.0012
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0018 0.0008
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0036 0.0033
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0037 0.0034
Schistosoma mansoni zinc finger protein 0.0022 0.0027 0.0021
Loa Loa (eye worm) hypothetical protein 0.0063 0.0149 0.0143
Entamoeba histolytica hypothetical protein 0.0038 0.0076 0.2291
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0058 0.0133 0.0145
Schistosoma mansoni ran 0.0046 0.01 0.0104
Brugia malayi Pre-SET motif family protein 0.0181 0.0497 0.0497
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0018 0.0012
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.296 0.8699 1
Schistosoma mansoni cpg binding protein 0.0032 0.0057 0.0055
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0096 0.0102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0113 0.0121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0069 0.0927
Loa Loa (eye worm) hypothetical protein 0.0268 0.0752 0.0747
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0048
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.01 0.6254
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0073 0.0177 0.0172
Schistosoma mansoni intermediate filament proteins 0.0031 0.0055 0.0053
Echinococcus granulosus muscleblind protein 0.0268 0.0752 0.0857
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0058 0.0133 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.0406 0.0459
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0165 0.018
Loa Loa (eye worm) hypothetical protein 0.0055 0.0126 0.012
Echinococcus granulosus GPCR family 2 0.0016 0.0011 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0096 0.1416
Brugia malayi vesicular acetylcholine transporter unc-17 0.296 0.8699 0.8699
Loa Loa (eye worm) hypothetical protein 0.0268 0.0752 0.0747
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0044 0.0093 0.0096
Echinococcus multilocularis cpg binding protein 0.0036 0.0068 0.007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0058 0.0133 0.0124
Echinococcus granulosus transcription factor btf3 0.0036 0.0069 0.0071
Schistosoma mansoni cpg binding protein 0.0036 0.0068 0.0068
Echinococcus granulosus dnaJ subfamily B 0.0455 0.1304 0.1492
Echinococcus multilocularis microtubule associated protein 2 0.2335 0.6852 0.7876
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0058 0.0133 0.5
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0278 0.0309
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0114 0.0109
Schistosoma mansoni hypothetical protein 0.0044 0.0091 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0069 0.0927
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0149 0.0164
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0119
Schistosoma mansoni hypothetical protein 0.0673 0.1949 0.2232
Onchocerca volvulus 0.0032 0.0057 0.0045
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0069 0.2006
Schistosoma mansoni cpg binding protein 0.0036 0.0068 0.0068
Brugia malayi hypothetical protein 0.0036 0.007 0.007
Brugia malayi Bromodomain containing protein 0.0039 0.0079 0.0079
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0076 0.0079
Echinococcus granulosus snurportin 1 0.0673 0.1949 0.2234
Echinococcus multilocularis snurportin 1 0.0673 0.1949 0.2234
Schistosoma mansoni lamin 0.0031 0.0055 0.0053
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.01 0.0094
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0011 0.0011
Treponema pallidum exodeoxyribonuclease (exoA) 0.0058 0.0133 0.5
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0069 0.384
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0018 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Loa Loa (eye worm) hypothetical protein 0.0042 0.0086 0.0081
Loa Loa (eye worm) hypothetical protein 0.0105 0.0273 0.0268
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.01 0.0091
Loa Loa (eye worm) cysteine protease 0.0019 0.0018 0.0012
Schistosoma mansoni transcription factor btf3 0.0036 0.0069 0.0069
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.0273 1
Entamoeba histolytica Ran family GTPase 0.0046 0.01 0.321
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0113 0.0104
Loa Loa (eye worm) hypothetical protein 0.0035 0.0066 0.0061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0058 0.0133 0.0127
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0069 0.0063
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0096 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0096 0.0102
Leishmania major basic transcription factor 3a, putative 0.0036 0.0069 0.006
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0113 0.1735
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0119
Leishmania major cathepsin L-like protease 0.0019 0.0018 0.0008
Echinococcus multilocularis protein patched 0.0045 0.0096 0.0102
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0014 0.0006
Brugia malayi Importin beta-1 subunit 0.0063 0.0149 0.0149
Schistosoma mansoni hypothetical protein 0.0016 0.0011 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Echinococcus multilocularis cysteine protease 0.0019 0.0018 0.0012
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0058 0.0133 0.8783
Loa Loa (eye worm) hypothetical protein 0.0051 0.0114 0.0109
Schistosoma mansoni lamin 0.0031 0.0055 0.0053
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0058 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0113 0.1735
Plasmodium vivax SET domain protein, putative 0.0027 0.0041 0.1793
Echinococcus granulosus zinc finger protein 0.0022 0.0027 0.0023
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0036 0.0031
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.0074
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0036 0.0034
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3401 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0096 0.0091
Plasmodium falciparum importin beta, putative 0.0063 0.0149 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0011 0.0004
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0011 0.0005
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0025 0.002
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0058 0.0133 0.4507
Brugia malayi PHD-finger family protein 0.0027 0.0044 0.0044
Loa Loa (eye worm) fibroinase 0.0019 0.0018 0.0012
Toxoplasma gondii HEAT repeat-containing protein 0.0063 0.0149 0.9823
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0455 0.1304 0.149
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0072 0.0074
Brugia malayi hypothetical protein 0.0056 0.0128 0.0128
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.0273 0.0306
Echinococcus multilocularis dnaJ subfamily B 0.0455 0.1304 0.1492
Loa Loa (eye worm) hypothetical protein 0.0015 0.0007 0.0002
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0069 0.006
Brugia malayi Bromodomain containing protein 0.0079 0.0196 0.0196
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0044 0.0093 0.0099
Echinococcus multilocularis lamin dm0 0.0031 0.0055 0.0055
Trypanosoma brucei C-8 sterol isomerase, putative 0.3401 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0018 0.0018
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0018 0.0008
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0172 0.0163
Brugia malayi intermediate filament protein 0.0031 0.0055 0.0055
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0072 0.0074
Brugia malayi Pre-SET motif family protein 0.0027 0.0041 0.0041
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0018 0.0012
Leishmania major hypothetical protein, conserved 0.0056 0.0128 0.0119
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0037 0.0034
Brugia malayi Cathepsin L-like precursor 0.0019 0.0018 0.0018
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0058 0.0133 0.0124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0172 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0119
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0069 0.006
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0046 0.01 0.6254
Echinococcus granulosus lamin dm0 0.0031 0.0055 0.0055
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0154 0.0145
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0069 0.3909
Echinococcus granulosus histone lysine methyltransferase setb 0.0044 0.0093 0.0099
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.0128 0.0119
Echinococcus granulosus geminin 0.0558 0.1608 0.1842
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0151 1
Entamoeba histolytica hypothetical protein 0.0051 0.0113 0.3755
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0041 0.0039
Schistosoma mansoni hypothetical protein 0.0044 0.0091 0.0094
Plasmodium vivax importin-beta 2, putative 0.0063 0.0149 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0128 0.8439
Entamoeba histolytica hypothetical protein 0.0038 0.0076 0.2291
Echinococcus multilocularis importin subunit beta 1 0.0063 0.0149 0.0163
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0058 0.0133 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.016 0.0174
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0058 0.0133 0.0124
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0128 0.8439
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.01 0.0091
Schistosoma mansoni hypothetical protein 0.0021 0.0025 0.0019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0011 0.0004
Echinococcus granulosus expressed conserved protein 0.0099 0.0254 0.0284
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0096 0.0102
Echinococcus multilocularis muscleblind protein 0.0268 0.0752 0.0857
Trichomonas vaginalis ap endonuclease, putative 0.0058 0.0133 0.2083
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0172 0.0163
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0014 0.0006
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0128 0.0119
Schistosoma mansoni hypothetical protein 0.0044 0.0091 0.0094

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12 uM In vitro inhibition of noradrenaline-induced contractions in rat portal vein ChEMBL. 8340916
IC50 (functional) = 12.2 uM In vitro inhibition of spontaneous tone of guinea pig tracheal spirals ChEMBL. 8340916
Max fall in blood pressure (functional) = 46.7 mmHg Change in systolic blood pressure at intervals of 1 hr after oral administration of 1 mg/kg of compound in spontaneously hypertensive rats (in vitro) ChEMBL. 8340916

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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