Detailed information for compound 13879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.837 | Formula: C17H24ClN2O3-
  • H donors: 2 H acceptors: 2 LogP: 2.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1C(N2CCCCC2)c2cc(ccc2OC1(C)C)C(=O)N.[Cl-]
  • InChi: 1S/C17H24N2O3.ClH/c1-17(2)15(20)14(19-8-4-3-5-9-19)12-10-11(16(18)21)6-7-13(12)22-17;/h6-7,10,14-15,20H,3-5,8-9H2,1-2H3,(H2,18,21);1H/p-1/t14?,15-;/m0./s1
  • InChiKey: BYMRRNKPAAWNDS-SCYKNNLXSA-M  


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
Loa Loa (eye worm) hypothetical protein 0.003 0.0581 0.0892
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0032 0.0655 0.4731
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0778 0.9572
Toxoplasma gondii ABC1 family protein 0.0038 0.0812 0.5755
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0903 0.0903
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0341 0.3769
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0812 0.5873
Echinococcus granulosus multidrug resistance protein 1 0.0032 0.0655 0.0655
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0099 0.2623 0.5668
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2583 0.5582
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0778 0.0778
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.1383 1
Brugia malayi Carboxylesterase family protein 0.0017 0.0196 0.03
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.067 0.067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.067 0.1029
Schistosoma mansoni hypothetical protein 0.0029 0.0549 0.1187
Brugia malayi CXXC zinc finger family protein 0.003 0.0588 0.0902
Brugia malayi hypothetical protein 0.0037 0.0803 0.1232
Loa Loa (eye worm) inositol-1 0.0041 0.0903 0.1387
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0588 0.0902
Schistosoma mansoni hypothetical protein 0.0026 0.0456 0.0986
Schistosoma mansoni hypothetical protein 0.0071 0.1793 0.3875
Schistosoma mansoni BC026374 protein (S09 family) 0.0017 0.0196 0.0423
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0011
Echinococcus granulosus para nitrobenzyl esterase 0.0017 0.0196 0.0196
Loa Loa (eye worm) acetylcholinesterase 1 0.0099 0.2623 0.4027
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0812 0.1241
Trichomonas vaginalis set domain proteins, putative 0.0233 0.6545 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0032 0.0655 0.7244
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0341 0.0341
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0903 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0032 0.0655 0.1
Brugia malayi Pre-SET motif family protein 0.003 0.0581 0.0892
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.1209 0.2613
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2583 0.2583
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0903 0.64
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0581 0.1256
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0032 0.0655 0.1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.5717 0.8776
Schistosoma mansoni inositol monophosphatase 0.0041 0.0903 0.1952
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.1383 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0655 0.1005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0803 0.0803
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0903 0.0903
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Mycobacterium ulcerans lipase LipD 0.0038 0.0812 0.8991
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.2478 0.2478
Onchocerca volvulus 0.003 0.0581 0.0608
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0032 0.0655 0.5
Entamoeba histolytica P-glycoprotein-2 0.0032 0.0655 0.7244
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1612 0.3484
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0026 0.0026
Echinococcus multilocularis roundabout 2 0.0012 0.0066 0.0066
Echinococcus multilocularis acetylcholinesterase 0.0099 0.2623 0.2623
Giardia lamblia PHD finger protein 15 0.0029 0.0549 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0196 0.0423
Echinococcus multilocularis GPCR, family 2 0.0033 0.067 0.067
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0549 0.0549
Echinococcus granulosus jumonji domain containing protein 0.004 0.0881 0.0881
Schistosoma mansoni hypothetical protein 0.0033 0.067 0.1448
Echinococcus multilocularis ATP binding cassette sub family B 0.0032 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Brugia malayi Immunoglobulin I-set domain containing protein 0.0127 0.3442 0.5284
Loa Loa (eye worm) hypothetical protein 0.0032 0.0644 0.0989
Brugia malayi beta-lactamase family protein 0.0038 0.0812 0.1247
Entamoeba histolytica hypothetical protein 0.0037 0.0803 0.8883
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0778 0.1195
Loa Loa (eye worm) hypothetical protein 0.0071 0.1793 0.2753
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0456 0.0456
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.067 0.067
Loa Loa (eye worm) carboxylesterase 0.0017 0.0196 0.03
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0032 0.0655 0.0963
Brugia malayi hypothetical protein 0.0232 0.6514 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2761 0.4239
Brugia malayi PHD-finger family protein 0.0029 0.0549 0.0844
Leishmania major hypothetical protein, conserved 0.0057 0.1383 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.2761 0.4239
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0032 0.0655 0.0655
Echinococcus granulosus BC026374 protein S09 family 0.0017 0.0196 0.0196
Brugia malayi beta-lactamase family protein 0.0038 0.0812 0.1247
Schistosoma mansoni cpg binding protein 0.003 0.0588 0.127
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0032 0.0655 0.0655
Echinococcus multilocularis tumor protein p63 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0812 0.0812
Trichomonas vaginalis abcb9, putative 0.0032 0.0655 0.1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0341 0.0501
Trichomonas vaginalis abcb9, putative 0.0032 0.0655 0.1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0812 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0281 0.0432
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0812 0.1241
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0367 0.0367
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0017 0.0196 0.0299
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.053 0.053
Brugia malayi multidrug resistance protein 3 0.0032 0.0655 0.1005
Trichomonas vaginalis ABC transporter, putative 0.0032 0.0655 0.1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0341 0.2462
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2761 0.4239
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0032 0.0655 0.0655
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0812 0.5873
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0812 0.8991
Loa Loa (eye worm) hypothetical protein 0.0099 0.2623 0.4027
Onchocerca volvulus 0.0038 0.0812 0.0971
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.1383 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0341 0.2462
Schistosoma mansoni survival motor neuron protein 0.0047 0.1091 0.2358
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0341 0.2462
Schistosoma mansoni hypothetical protein 0.0033 0.067 0.1448
Leishmania major hypothetical protein, conserved 0.0038 0.0812 0.5873
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0581 0.4118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Echinococcus granulosus acetylcholinesterase 0.0099 0.2623 0.2623
Brugia malayi beta-lactamase 0.0038 0.0812 0.1247
Entamoeba histolytica P-glycoprotein-2, putative 0.0032 0.0655 0.7244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0581 0.1256
Echinococcus multilocularis carboxylesterase 5A 0.0099 0.2623 0.2623
Plasmodium falciparum multidrug resistance protein 1 0.0032 0.0655 0.4731
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0341 0.2462
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0581 0.1256
Plasmodium vivax multidrug resistance protein 1, putative 0.0032 0.0655 0.4731
Loa Loa (eye worm) hypothetical protein 0.0033 0.067 0.1029
Loa Loa (eye worm) hypothetical protein 0.0049 0.1155 0.1773
Schistosoma mansoni smdr2 0.0032 0.0655 0.1414
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0812 0.5873
Onchocerca volvulus 0.0233 0.6545 1
Trichomonas vaginalis ABC transporter, putative 0.0032 0.0655 0.1
Schistosoma mansoni gliotactin 0.0017 0.0196 0.0423
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Echinococcus multilocularis multidrug resistance protein 1 0.0023 0.0367 0.0367
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.067 0.067
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0032 0.0655 0.1
Trichomonas vaginalis ABC transporter, putative 0.0032 0.0655 0.1
Toxoplasma gondii exonuclease III APE 0.0022 0.0341 0.2412
Brugia malayi Carboxylesterase family protein 0.0099 0.2623 0.4027
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0017 0.0196 0.0196
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0812 0.1195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0812 0.1755
Mycobacterium tuberculosis Conserved protein 0.0038 0.0812 0.1195
Plasmodium falciparum phd finger protein, putative 0.0029 0.0549 0.3972
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0903 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0549 0.0549
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0903 0.6531
Toxoplasma gondii LsmAD domain-containing protein 0.0057 0.1383 0.9799
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0903 1
Echinococcus granulosus neuroligin 0.0017 0.0196 0.0196
Echinococcus multilocularis para nitrobenzyl esterase 0.0017 0.0196 0.0196
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0549 0.1187
Brugia malayi Carboxylesterase family protein 0.0099 0.2623 0.4027
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0812 0.1195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2583 0.5582
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Entamoeba histolytica P-glycoprotein-1 0.0032 0.0655 0.7244
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0812 0.5873
Plasmodium vivax SET domain protein, putative 0.003 0.0581 0.4202
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.067 0.1029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0803 0.0803
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Loa Loa (eye worm) hypothetical protein 0.0038 0.0812 0.1247
Mycobacterium tuberculosis Conserved protein 0.0038 0.0812 0.1195
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Brugia malayi jmjC domain containing protein 0.0037 0.0778 0.1195
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0032 0.0655 0.0655
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.6514 0.6514
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0032 0.0655 0.0655
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0903 0.6531
Echinococcus multilocularis multidrug resistance protein 1 0.0032 0.0655 0.0655
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1793 0.2753
Echinococcus multilocularis geminin 0.0168 0.4628 0.4628
Echinococcus multilocularis neuroligin 0.0017 0.0196 0.0196
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0231 0.0498
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0032 0.0655 0.1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0032 0.0655 0.0655
Schistosoma mansoni inositol monophosphatase 0.0041 0.0903 0.1952
Brugia malayi Latrophilin receptor protein 2 0.0033 0.067 0.1029
Schistosoma mansoni hypothetical protein 0.0168 0.4628 1
Echinococcus multilocularis acetylcholinesterase 0.0099 0.2623 0.2623
Schistosoma mansoni cpg binding protein 0.0032 0.0638 0.1379
Loa Loa (eye worm) carboxylesterase 0.0099 0.2623 0.4027
Echinococcus granulosus GPCR family 2 0.0033 0.067 0.067
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1452 0.2229
Trichomonas vaginalis abcb9, putative 0.0032 0.0655 0.1
Brugia malayi hypothetical protein 0.0057 0.1383 0.2124
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0812 0.1195
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0903 0.6531
Echinococcus granulosus multidrug resistance protein 1 0.0023 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0029 0.0549 0.0844
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0026 0.0026
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0903 0.138
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0812 0.1247
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0581 0.0581
Onchocerca volvulus 0.0038 0.0812 0.0971
Schistosoma mansoni multidrug resistance protein 0.0032 0.0655 0.1414
Mycobacterium tuberculosis Conserved protein 0.0038 0.0812 0.1195
Mycobacterium tuberculosis Carboxylesterase LipT 0.0017 0.0196 0.0288
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0812 0.1195
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0812 0.1241
Schistosoma mansoni cpg binding protein 0.0032 0.0638 0.1379
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Onchocerca volvulus Alhambra homolog 0.0029 0.0549 0.0557
Entamoeba histolytica hypothetical protein 0.0037 0.0803 0.8883
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0341 0.6197
Onchocerca volvulus 0.0032 0.0655 0.0723
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0341 0.0523
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Brugia malayi Carboxylesterase family protein 0.0017 0.0196 0.03
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.6514 0.6514
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0196 0.0288
Mycobacterium ulcerans hypothetical protein 0.0038 0.0812 0.8991
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Entamoeba histolytica hypothetical protein 0.0037 0.0803 0.8883
Brugia malayi hypothetical protein 0.0037 0.0787 0.1209
Brugia malayi jmjC domain containing protein 0.0094 0.2478 0.3804
Brugia malayi Pre-SET motif family protein 0.0205 0.5717 0.8776
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0549 0.3892
Echinococcus multilocularis peregrin 0.0029 0.0549 0.0549
Trichomonas vaginalis taga, putative 0.0032 0.0655 0.1
Echinococcus granulosus multidrug resistance protein 1 0.0032 0.0655 0.0655
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0903 0.6531
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0812 0.1195
Schistosoma mansoni cell adhesion molecule 0.001 0.0007 0.0016
Loa Loa (eye worm) histone methyltransferase 0.001 0.0008 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2583 0.2583
Loa Loa (eye worm) hypothetical protein 0.0051 0.1209 0.1856
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0032 0.0655 0.0655
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0341 0.0523
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0341 0.3769
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2583 0.5582
Schistosoma mansoni neuroligin 3 (S09 family) 0.0017 0.0196 0.0423
Onchocerca volvulus 0.0047 0.1091 0.1411
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0812 0.1755
Schistosoma mansoni hypothetical protein 0.0168 0.4628 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0655 0.1005
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0812 0.1195
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0341 0.2462
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2761 0.4239
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0812 0.0812
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0341 0.2462
Echinococcus granulosus multidrug resistance protein 1 0.0032 0.0655 0.0655
Schistosoma mansoni acetylcholinesterase 0.0017 0.0196 0.0423
Schistosoma mansoni hypothetical protein 0.0037 0.0803 0.1734
Echinococcus granulosus peregrin 0.0029 0.0549 0.0549
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0581 0.0581
Entamoeba histolytica P-glyco protein 6, putative 0.0032 0.0655 0.7244
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0101
Echinococcus granulosus acetylcholinesterase 0.0099 0.2623 0.2623
Mycobacterium ulcerans carboxylesterase, LipT 0.0017 0.0196 0.2164
Schistosoma mansoni ap endonuclease 0.0022 0.0341 0.0736
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0903 0.138
Echinococcus granulosus roundabout 2 0.0012 0.0066 0.0066
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0032 0.0644 0.0644
Onchocerca volvulus Tyrosine kinase homolog 0.0119 0.3196 0.4725
Onchocerca volvulus 0.0051 0.1209 0.1597
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.2478 0.2478
Echinococcus multilocularis cpg binding protein 0.0032 0.0638 0.0638
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0778 0.1144
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0032 0.0655 0.1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0032 0.0655 0.1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0881 0.0881
Loa Loa (eye worm) hypothetical protein 0.0057 0.1383 0.2124
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0032 0.0655 0.0655
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.6796 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.001 0.0007 0.0007
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0017 0.0196 0.0196
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0008 0.0008
Brugia malayi ABC transporter family protein 0.0032 0.0655 0.1005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2583 0.2583
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0812 0.1241
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0341 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.03
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0812 0.1247
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0032 0.0655 0.4637
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1907 0.4121
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0812 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0549 0.3892
Brugia malayi Carboxylesterase family protein 0.0017 0.0196 0.03
Loa Loa (eye worm) carboxylesterase 0.0017 0.0196 0.03
Schistosoma mansoni multidrug resistance protein 0.0032 0.0655 0.1414
Trichomonas vaginalis ABC transporter, putative 0.0032 0.0655 0.1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.2583 0.3966
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0728 0.0728
Loa Loa (eye worm) multidrug resistance protein 3 0.0032 0.0655 0.1005
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.1383 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0812 0.1241
Onchocerca volvulus 0.0038 0.0812 0.0971
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0032 0.0655 0.0655
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0803 0.1734
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0812 0.8991
Trichomonas vaginalis spcc417.12 protein, putative 0.0017 0.0196 0.0299
Schistosoma mansoni multidrug resistance protein 0.0032 0.0655 0.1414
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0033 0.0238
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0341 0.3769
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0101
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0196 0.0423
Entamoeba histolytica P-glycoprotein-2 0.0032 0.0655 0.7244
Loa Loa (eye worm) beta-lactamase 0.0038 0.0812 0.1247
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0023 0.0367 0.0561
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0196 0.0423
Brugia malayi Inositol-1 0.0041 0.0903 0.1387
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0341 0.0341
Schistosoma mansoni hypothetical protein 0.0047 0.1091 0.2358
Schistosoma mansoni ap endonuclease 0.0022 0.0341 0.0736
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0032 0.0655 0.1
Entamoeba histolytica hypothetical protein 0.0037 0.0803 0.8883
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1091 0.1676
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0008 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.0057 0.1383 1
Trichomonas vaginalis esterase, putative 0.0038 0.0812 0.1241
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0549 0.0844
Schistosoma mansoni hypothetical protein 0.0033 0.067 0.1448
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0549 0.3972
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0127 0.3442 0.5284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2583 0.2583
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0778 0.1682
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0812 0.1195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0581 0.1256
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.1383 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0017 0.0196 0.0196
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0341 0.052
Entamoeba histolytica P-glycoprotein-5 0.0032 0.0655 0.7244
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.067 0.067
Echinococcus granulosus geminin 0.0168 0.4628 0.4628
Leishmania major p-glycoprotein 0.0032 0.0655 0.4731
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.2583 0.3966
Onchocerca volvulus 0.0116 0.3116 0.46
Loa Loa (eye worm) hypothetical protein 0.0232 0.6514 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Echinococcus granulosus carboxylesterase 5A 0.0099 0.2623 0.2623
Echinococcus multilocularis multidrug resistance protein 1 0.0032 0.0655 0.0655
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0045
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0032 0.0655 0.1
Schistosoma mansoni hypothetical protein 0.0033 0.067 0.1448
Brugia malayi Bromodomain containing protein 0.0029 0.0549 0.0844
Onchocerca volvulus 0.003 0.0588 0.0618
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0581 0.0581
Brugia malayi hypothetical protein 0.0017 0.0196 0.03
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0903 0.138
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0032 0.0655 0.4637
Brugia malayi PHD-finger family protein 0.0011 0.0029 0.0045
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1412 1
Echinococcus granulosus cpg binding protein 0.0032 0.0638 0.0638
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0778 0.1682
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0196 0.0288
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0341 0.052
Brugia malayi Carboxylesterase family protein 0.0017 0.0196 0.03
Mycobacterium ulcerans beta-lactamase 0.0038 0.0812 0.8991
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.0655 0.1
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0033 0.0238
Loa Loa (eye worm) hypothetical protein 0.0099 0.2623 0.4027
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0032 0.0655 0.1005

Activities

Activity type Activity value Assay description Source Reference
Max fall in blood pressure (functional) = 9 mmHg Compound was evaluated for antihypertensive activity in deoxycorticosterone acetate (DOCA) treated hypertensive rats at 1 mg/kg peroral administration ChEMBL. 6471067
Max fall in blood pressure (functional) = 24 mmHg Compound was evaluated for oral antihypertensive activity in spontaneously hypertensive rats at 1 mg/kg peroral administration ChEMBL. 6471067
Max fall in blood pressure (functional) = 76 mmHg Compound was evaluated for oral antihypertensive activity in spontaneously hypertensive rats at 3 mg/kg peroral administration ChEMBL. 6471067
Max fall in blood pressure (functional) = 109 mmHg Compound was evaluated for oral antihypertensive activity in spontaneously hypertensive rats at 10 mg/kg peroral administration ChEMBL. 6471067

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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