Detailed information for compound 142665

Basic information

Technical information
  • TDR Targets ID: 142665
  • Name: 4-[4-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-tr iazol-4-yl]phenoxy]butyl]piperidine
  • MW: 466.617 | Formula: C30H34N4O
  • H donors: 1 H acceptors: 2 LogP: 6.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nnc(n1c1ccccc1OCCCCC1CCNCC1)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C30H34N4O/c1-23-32-33-30(27-16-14-26(15-17-27)25-10-3-2-4-11-25)34(23)28-12-5-6-13-29(28)35-22-8-7-9-24-18-20-31-21-19-24/h2-6,10-17,24,31H,7-9,18-22H2,1H3
  • InChiKey: BVUVRJNGHWMKAP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arginine vasopressin receptor 1A Starlite/ChEMBL References
Homo sapiens arginine vasopressin receptor 2 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
Onchocerca volvulus 0.001 0.0007 0.0007
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Brugia malayi Na,K-ATPase alpha subunit 0.0018 0.0046 0.0041
Entamoeba histolytica cysteine proteinase, putative 0.001 0.0006 0.0003
Plasmodium falciparum cysteine proteinase falcipain 3 0.001 0.0006 0.0003
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0014 0.0029 0.0026
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.199 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0516 0.2561 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0041
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0516 0.2561 0.2559
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0018 0.0046 0.017
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0177 0.0849 0.0846
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0072 0.0319 0.1246
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.2561 1
Trypanosoma brucei phosphatase of regenerating liver-type phosphatase, putative 0.0009 0.0003 0.0011
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0516 0.2561 0.2559
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0014 0.0029 0.0026
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0018 0.0046 0.0182
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0009 0.0003 0.0011
Echinococcus multilocularis calcium transporting atpase 0.0027 0.0091 0.0088
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.199 1 1
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.001 0.0007 0.0005
Toxoplasma gondii hypothetical protein 0.0516 0.2561 0.2807
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0042 0.0169 0.0167
Plasmodium vivax vivapain-2 0.001 0.0006 0.0003
Entamoeba histolytica cysteine protease, putative 0.001 0.0006 0.0003
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0014 0.0029 0.0026
Plasmodium vivax aspartyl proteinase, putative 0.0042 0.0169 0.0167
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0018 0.0046 0.0046
Leishmania major calcium-translocating P-type ATPase 0.003 0.0109 0.0414
Plasmodium falciparum cysteine proteinase falcipain 2b 0.001 0.0006 0.0003
Trypanosoma cruzi Calcium ATPase SERCA-like 0.003 0.0109 0.0425
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0177 0.0849 0.0844
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0516 0.2561 0.2557
Plasmodium vivax plasmepsin IV, putative 0.0042 0.0169 0.0167
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0072 0.0319 0.1246
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.2561 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.003 0.0109 0.0106
Plasmodium vivax aspartyl proteinase, putative 0.001 0.0007 0.0004
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Plasmodium falciparum plasmepsin X 0.001 0.0007 0.0004
Loa Loa (eye worm) fibroinase 0.001 0.0006 0.0006
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0009 0.0003 0.0011
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0012 0.0018 0.0012
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.001 0.0007 0.0002
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.0048
Plasmodium vivax aspartyl protease, putative 0.001 0.0007 0.0004
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0516 0.2561 0.2559
Echinococcus multilocularis cysteine protease 0.001 0.0006 0.0003
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.1813 0.9107 1
Trypanosoma cruzi lanosterol synthase, putative 0.0072 0.0319 0.1246
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0177 0.0849 0.0849
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0072 0.0319 0.0316
Giardia lamblia Rab geranylgeranyltransferase 0.0072 0.0319 0.0291
Plasmodium falciparum geranylgeranyltransferase, putative 0.0072 0.0319 0.0316
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0516 0.2561 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.001 0.0007 0.0005
Brugia malayi Eukaryotic aspartyl protease family protein 0.001 0.0007 0.0002
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0018 0.0046 0.0018
Echinococcus granulosus cathepsin l cysteine peptidase 0.001 0.0006 0.0003
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Plasmodium vivax P-type ATPase4, putative 0.003 0.0109 0.0106
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0516 0.2561 1
Trypanosoma cruzi phytoene synthase, putative 0.0067 0.0295 0.1152
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0177 0.0849 0.0844
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0044
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0018 0.0046 0.0182
Plasmodium falciparum plasmepsin IV 0.0042 0.0169 0.0167
Trypanosoma cruzi lanosterol synthase, putative 0.0072 0.0319 0.1246
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0516 0.2561 0.2559
Loa Loa (eye worm) hypothetical protein 0.0072 0.0319 0.0319
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0516 0.2561 0.2557
Plasmodium falciparum plasmepsin III 0.001 0.0007 0.0004
Leishmania major P-type H -ATPase, putative 0.0011 0.0014 0.0043
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0516 0.2561 0.2561
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.003 0.0109 0.0106
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0018 0.0046 0.0182
Entamoeba histolytica cysteine proteinase, putative 0.001 0.0006 0.0003
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0516 0.2561 0.2559
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0516 0.2561 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0516 0.2561 0.2559
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0072 0.0319 0.0314
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0018 0.0046 0.0044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.199 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.003 0.0109 0.0106
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0007
Leishmania major P-type H -ATPase, putative 0.0011 0.0014 0.0043
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0254 0.1239 0.1234
Trichomonas vaginalis cation-transporting ATPase, putative 0.0011 0.0014 0.0008
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0018 0.0046 0.0032
Plasmodium falciparum plasmepsin VII 0.001 0.0007 0.0004
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0021 0.0062 0.0062
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0014 0.0029 0.0026
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0254 0.1239 0.1237
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0014 0.0029 0.0026
Echinococcus multilocularis cathepsin l cysteine peptidase 0.001 0.0006 0.0003
Schistosoma mansoni cathepsin F (C01 family) 0.001 0.0006 0.0003
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0027 0.0091 0.0085
Echinococcus granulosus calcium transporting ATPase type 2C member 0.003 0.0109 0.0106
Brugia malayi Pepsin A precursor 0.001 0.0007 0.0002
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.003 0.0109 0.0106
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0516 0.2561 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0177 0.0849 0.0844
Trypanosoma brucei lanosterol synthase 0.0072 0.0319 0.1246
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0072 0.0319 0.0314
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0006 0.0022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Plasmodium vivax prenyltransferase alpha subunit, putative 0.199 1 1
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1107 0.5546 0.3627
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0177 0.0849 0.0846
Brugia malayi hypothetical protein 0.001 0.0007 0.0002
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0019 0.0052 0.0203
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.199 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0319 0.1246
Loa Loa (eye worm) papain family cysteine protease containing protein 0.001 0.0006 0.0006
Brugia malayi hypothetical protein 0.001 0.0007 0.0002
Trypanosoma cruzi P-type H+-ATPase, putative 0.0011 0.0014 0.0055
Trypanosoma cruzi protein tyrosine phosphatase PRL 0.0009 0.0003 0.0011
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0072 0.0319 0.0319
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0177 0.0849 0.0844
Schistosoma mansoni 3-dehydroquinate synthase 0.0706 0.3519 0.3517
Plasmodium falciparum plasmepsin V 0.001 0.0007 0.0004
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase A CtpF 0.0012 0.002 0.0005
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0018 0.0046 0.0044
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0041
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0254 0.1239 0.1239
Plasmodium falciparum cysteine proteinase falcipain 2a 0.001 0.0006 0.0003
Trypanosoma cruzi cruzipain precursor, putative 0.001 0.0006 0.0022
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1107 0.5546 0.6082
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0042 0.0169 0.0164
Plasmodium vivax aspartyl protease, putative 0.001 0.0007 0.0004
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1107 0.5546 0.5
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0072 0.0319 0.0314
Trypanosoma cruzi protein farnesyltransferase, putative 0.0177 0.0849 0.3315
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0067 0.0295 0.1132
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0006
Toxoplasma gondii aspartyl protease ASP3 0.001 0.0007 0.0002
Toxoplasma gondii P-type ATPase PMA1 0.0011 0.0014 0.0009
Echinococcus multilocularis cathepsin l cysteine peptidase 0.001 0.0006 0.0003
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0041
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.1813 0.9107 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0018 0.0046 0.0044
Schistosoma mansoni ATPase 0.003 0.0109 0.0106
Leishmania major geranylgeranyltransferase, putative 0.0072 0.0319 0.1236
Schistosoma mansoni ATPase 0.003 0.0109 0.0106
Onchocerca volvulus 0.0018 0.0046 0.016
Echinococcus granulosus cathepsin L cysteine proteinase 0.001 0.0006 0.0003
Echinococcus granulosus cathepsin l1 0.001 0.0006 0.0003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Mycobacterium ulcerans phytoene synthase, CrtB 0.0067 0.0295 0.0305
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0042 0.0169 0.0169
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0516 0.2561 0.2559
Trypanosoma brucei P-type H+-ATPase, putative 0.0011 0.0014 0.0055
Loa Loa (eye worm) E1-E2 ATPase 0.0011 0.0014 0.0014
Loa Loa (eye worm) calcium ATPase 0.001 0.0007 0.0007
Plasmodium vivax geranylgeranyltransferase, putative 0.0072 0.0319 0.0316
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.1813 0.9107 1
Plasmodium falciparum plasmepsin I 0.0042 0.0169 0.0167
Loa Loa (eye worm) hypothetical protein 0.0042 0.0169 0.0169
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0018 0.0046 0.0182
Plasmodium falciparum plasmepsin II 0.0042 0.0169 0.0167
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0029 0.0112
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0254 0.1239 0.1237
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0044
Plasmodium falciparum plasmepsin VI 0.0042 0.0169 0.0167
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0009 0.0003 0.0011
Loa Loa (eye worm) hypothetical protein 0.003 0.0109 0.0109
Echinococcus granulosus calcium transporting atpase 0.0027 0.0091 0.0088
Brugia malayi aspartic protease BmAsp-2, identical 0.001 0.0007 0.0002
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Leishmania major P-type ATPase, putative 0.0014 0.0029 0.0101
Brugia malayi E1-E2 ATPase family protein 0.0011 0.0014 0.0008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0516 0.2561 0.2559
Echinococcus multilocularis Squalene phytoene synthase 0.0067 0.0295 0.0292
Trypanosoma brucei P-type H+-ATPase, putative 0.0011 0.0014 0.0055
Toxoplasma gondii P-type ATPase4, putative 0.0018 0.0046 0.0045
Plasmodium vivax plasmepsin V, putative 0.001 0.0007 0.0004
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.199 1 1
Onchocerca volvulus 0.0516 0.2561 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.0011 0.0014 0.0055
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0177 0.0849 0.0846
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0706 0.3519 1
Giardia lamblia Prenyltransferase 0.0177 0.0849 0.0823
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0012 0.0018 0.0018
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0027 0.0091 0.0088
Plasmodium falciparum plasmepsin VIII, putative 0.001 0.0007 0.0004
Trypanosoma cruzi squalene synthase, putative 0.0215 0.1041 0.4065
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0018 0.0046 0.0041
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0041
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0041
Schistosoma mansoni hypothetical protein 0.0067 0.0295 0.0292
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0072 0.0319 0.0344
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0009 0.0003 0.0011
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0027 0.0091 0.0088
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0009 0.0003 0.0011
Echinococcus multilocularis cysteine protease 0.001 0.0006 0.0003
Giardia lamblia Rab geranylgeranyltransferase 0.0516 0.2561 0.2539
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0029 0.0112
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0177 0.0849 0.0926
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1107 0.5546 0.5
Plasmodium falciparum calcium-transporting ATPase 0.0027 0.0091 0.0088
Schistosoma mansoni cathepsin D (A01 family) 0.0124 0.0583 0.058
Trypanosoma cruzi protein farnesyltransferase, putative 0.0177 0.0849 0.3315
Trichomonas vaginalis cation-transporting ATPase, putative 0.003 0.0109 0.0103
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0067 0.0295 0.0792
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.199 1 1
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0072 0.0319 0.0316
Leishmania major farnesyltransferase beta subunit 0.0177 0.0849 0.3307
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.003 0.0109 0.01
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Plasmodium vivax aspartyl protease, putative 0.001 0.0007 0.0004
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0254 0.1239 0.1237
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.199 1 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0014 0.0029 0.0026
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0042 0.0169 0.018
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Echinococcus multilocularis cathepsin L cysteine protease 0.001 0.0006 0.0003
Brugia malayi Membrane calcium atpase protein 3 0.0014 0.0029 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0319 0.1246
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.003 0.0109 0.0113
Plasmodium vivax vivapain-2 0.001 0.0006 0.0003
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0254 0.1239 0.1234
Toxoplasma gondii aspartyl protease ASP1 0.0042 0.0169 0.018
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0706 0.3519 0.3852
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.199 1 1
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Brugia malayi aspartic protease BmAsp-1, identical 0.001 0.0007 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.199 1 1
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0072 0.0319 0.0316
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0014 0.0029 0.0026
Trypanosoma brucei calcium-translocating P-type ATPase 0.0027 0.0091 0.0355
Leishmania major cysteine peptidase A (CPA) 0.001 0.0006 0.0011
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0072 0.0319 0.0316
Trypanosoma brucei hypothetical protein, conserved 0.0516 0.2561 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0018 0.0046 0.0044
Loa Loa (eye worm) cysteine protease 0.001 0.0006 0.0006
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0042 0.0169 0.0167
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0706 0.3519 1
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0014 0.0029 0.0112
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0177 0.0849 0.0846
Loa Loa (eye worm) hypothetical protein 0.001 0.0007 0.0007
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.199 1 1
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0706 0.3519 0.3852
Leishmania major cathepsin L-like protease 0.001 0.0006 0.0011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Echinococcus granulosus Na:K ATPase alpha subunit 0.0014 0.0029 0.0026
Plasmodium falciparum plasmepsin IX 0.001 0.0007 0.0004
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0177 0.0849 0.3315
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0042 0.0169 0.0167
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0177 0.0849 0.0846
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0018 0.0046 0.0044
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0105 0.0487 0.0484
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0014 0.0029 0.0026
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1474 0.7396 0.7395
Loa Loa (eye worm) hypothetical protein 0.0067 0.0295 0.0295
Leishmania major hypothetical protein, conserved 0.0067 0.0295 0.1142
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0516 0.2561 1
Echinococcus granulosus Squalene phytoene synthase 0.0067 0.0295 0.0292
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0014 0.0029 0.0025
Echinococcus multilocularis cathepsin L cysteine protease 0.001 0.0006 0.0003
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0018 0.0046 0.0182
Trichomonas vaginalis cation-transporting ATPase, putative 0.003 0.0109 0.0103
Giardia lamblia Rab geranylgeranyltransferase 0.199 1 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0027 0.0091 0.0088
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0254 0.1239 0.1237
Schistosoma mansoni cathepsin F (C01 family) 0.001 0.0006 0.0003
Onchocerca volvulus 0.001 0.0007 0.0007
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0177 0.0849 0.0844
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0177 0.0849 0.0844
Toxoplasma gondii aspartyl protease 0.001 0.0007 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.1813 0.9107 1
Leishmania major squalene synthase, putative 0.0215 0.1041 0.4058
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0018 0.0046 0.0045
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.001 0.0006 0.0022
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0177 0.0849 0.0846
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0006 0.0022
Trypanosoma cruzi squalene synthase, putative 0.0215 0.1041 0.4065
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0072 0.0319 0.0344
Schistosoma mansoni cathepsin D (A01 family) 0.0124 0.0583 0.058
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0072 0.0319 0.0316
Plasmodium vivax calcium-transporting ATPase, putative 0.003 0.0109 0.0106
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0072 0.0319 0.0861
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0009 0.0003 0.0011
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0018 0.0046 0.017
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0009 0.0003 0.0011
Leishmania major calcium-transporting ATPase, putative 0.0014 0.0029 0.0101
Loa Loa (eye worm) aspartic protease BmAsp-1 0.001 0.0007 0.0007
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.001 0.0006 0.0006
Leishmania major calcium motive p-type ATPase, putative 0.0014 0.0029 0.0101
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0254 0.1239 0.1237
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0046
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0014 0.0029 0.0023
Loa Loa (eye worm) aspartyl protease 6 0.001 0.0007 0.0007
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0021 0.0062 0.0057
Trypanosoma brucei squalene synthase, putative 0.0215 0.1041 0.4065
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.001 0.0007 0.0002
Trichomonas vaginalis cation-transporting ATPase, putative 0.0018 0.0046 0.0041
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.001 0.0007 0.0004
Toxoplasma gondii hypothetical protein 0.1474 0.7396 0.812
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0177 0.0849 0.0844
Loa Loa (eye worm) ctsf protein 0.001 0.0006 0.0006
Schistosoma mansoni memapsin-2 (A01 family) 0.001 0.0007 0.0004
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0516 0.2561 1
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0006 0.0022

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.12 nM Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand ChEMBL. 12036368
Ki (binding) = 2.12 nM Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand ChEMBL. 12036368
Ki (binding) = 4430 nM Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligand ChEMBL. 12036368
Ki (binding) = 4430 nM Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligand ChEMBL. 12036368
Ratio (binding) = 2100 Selectivity ratio of affinity at human Vasopressin V2 receptor to that of human Vasopressin V1a receptor. ChEMBL. 12036368

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

1 literature reference was collected for this gene.

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