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  


Substructure search Similarity search

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

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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