Detailed information for compound 992946

Basic information

Technical information
  • TDR Targets ID: 992946
  • Name: 4-amino-N-methyl-N-[3-phenyl-3-[4-(trifluorom ethyl)phenoxy]propyl]butanamide hydrochloride
  • MW: 430.892 | Formula: C21H26ClF3N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.31 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCC(=O)N(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C.Cl
  • InChi: 1S/C21H25F3N2O2.ClH/c1-26(20(27)8-5-14-25)15-13-19(16-6-3-2-4-7-16)28-18-11-9-17(10-12-18)21(22,23)24;/h2-4,6-7,9-12,19H,5,8,13-15,25H2,1H3;1H
  • InChiKey: JESXNJNXAPIVIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]butyramide hydrochloride

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
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0012 0.002
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Brugia malayi beta-lactamase 0.0035 0.0463 0.167
Brugia malayi beta-lactamase family protein 0.0035 0.0463 0.167
Trichomonas vaginalis cyclin B, putative 0.0119 0.2145 0.5591
Echinococcus granulosus GPCR family 2 0.0016 0.0064 0.0056
Echinococcus multilocularis cyclin b3 0.0119 0.2145 0.2139
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Onchocerca volvulus Cyclin L homolog 0.0029 0.0331 0.1171
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0064 0.0235
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0013 0.0012 0.0012
Leishmania major cyclin 9, putative 0.0029 0.0331 0.1509
Mycobacterium tuberculosis Possible oxidoreductase 0.0013 0.0012 0.001
Loa Loa (eye worm) amidase 0.0013 0.0008 0.0029
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0029 0.0331 0.0904
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Entamoeba histolytica cyclin, domain containing protein 0.0029 0.0331 0.1492
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0029 0.0331 0.033
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0191 0.3577 1
Trichomonas vaginalis cyclins, putative 0.0119 0.2145 0.5591
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0012 0.0016
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0013 0.0012 0.0012
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0547 0.1511
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0619 0.1703
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0013 0.0012 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0064 0.104 0.1056
Loa Loa (eye worm) hypothetical protein 0.0119 0.2145 0.7857
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Echinococcus multilocularis cyclin B 0.0119 0.2145 0.2139
Brugia malayi Cyclin, N-terminal domain containing protein 0.0119 0.2145 0.785
Schistosoma mansoni intermediate filament proteins 0.0027 0.0285 0.0283
Entamoeba histolytica hypothetical protein 0.0029 0.0331 0.1492
Mycobacterium tuberculosis Possible oxidoreductase 0.0013 0.0012 0.001
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0013 0.0012 0.002
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0463 0.2127
Trypanosoma cruzi cyclin, putative 0.0119 0.2145 1
Echinococcus multilocularis G1:S specific cyclin D1 0.0029 0.0331 0.0323
Loa Loa (eye worm) hypothetical protein 0.0149 0.2731 1
Echinococcus multilocularis Cyclin L1 0.0029 0.0331 0.0323
Loa Loa (eye worm) hypothetical protein 0.0016 0.0064 0.0235
Loa Loa (eye worm) oxidoreductase 0.0013 0.0012 0.0045
Schistosoma mansoni lamin 0.0027 0.0285 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2145 0.5591
Trypanosoma cruzi cyclin, putative 0.0119 0.2145 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0119 0.2145 0.2139
Echinococcus multilocularis cyclin G2 0.0029 0.0331 0.0323
Echinococcus granulosus cyclin 0.0029 0.0331 0.0323
Loa Loa (eye worm) hypothetical protein 0.0105 0.1865 0.6829
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0463 0.1063
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0285 0.1042
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.2698 0.2753
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0012 0.001
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.104 0.3792
Onchocerca volvulus Cyclin L homolog 0.0029 0.0331 0.1171
Echinococcus granulosus cyclin A3 4 0.0029 0.0331 0.0323
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0463 0.1274
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0029 0.0331 0.0893
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Entamoeba histolytica cyclin family protein 0.0119 0.2145 1
Trypanosoma cruzi mitotic cyclin, putative 0.0029 0.0331 0.1509
Mycobacterium leprae Probable lipase LipE 0.0035 0.0463 0.1274
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0012 0.002
Trypanosoma brucei mitotic cyclin 6 0.0119 0.2145 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.1063
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Plasmodium vivax cyclin homologue, putative 0.0029 0.0331 0.0904
Onchocerca volvulus 0.0049 0.0728 0.2632
Leishmania major pteridine reductase 1 0.0013 0.0012 0.002
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0013 0.0012 0.0012
Giardia lamblia G2/mitotic-specific cyclin B 0.0119 0.2145 1
Schistosoma mansoni hypothetical protein 0.0016 0.0064 0.0057
Giardia lamblia Cyclin A 0.0119 0.2145 1
Schistosoma mansoni hypothetical protein 0.0016 0.0064 0.0057
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0064 0.0056
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0463 0.1063
Schistosoma mansoni fatty-acid amide hydrolase 0.0105 0.1865 0.19
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0013 0.0012 0.001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0463 0.0465
Echinococcus multilocularis cyclin y 0.0029 0.0331 0.0323
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0029 0.0331 0.0904
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0038 0.011
Echinococcus granulosus cyclin y 0.0029 0.0331 0.0323
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0463 0.0455
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0013 0.0012 0.0004
Loa Loa (eye worm) acetyltransferase 0.0147 0.2698 0.9881
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Leishmania major oxidoreductase-like protein 0.0013 0.0012 0.002
Schistosoma mansoni cyclin l 0.0029 0.0331 0.033
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0619 0.1713
Echinococcus granulosus cyclin t1 0.0029 0.0331 0.0323
Echinococcus multilocularis lamin 0.0027 0.0285 0.0277
Echinococcus granulosus transient receptor potential cation channel 0.0511 0.9985 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0012 0.0012
Brugia malayi beta-lactamase family protein 0.0035 0.0463 0.167
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0012 0.002
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Entamoeba histolytica cyclin, putative 0.0119 0.2145 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0013 0.0012 0.002
Onchocerca volvulus 0.0035 0.0463 0.1657
Entamoeba histolytica cyclin, domain containing protein 0.0029 0.0331 0.1492
Loa Loa (eye worm) hypothetical protein 0.0049 0.0728 0.2665
Trichomonas vaginalis cyclin B, putative 0.0119 0.2145 0.5591
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0285 0.1042
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0036
Loa Loa (eye worm) amidase 0.0013 0.0008 0.0029
Plasmodium falciparum enoyl-acyl carrier reductase 0.0191 0.3577 1
Leishmania major hypothetical protein, conserved 0.0035 0.0463 0.2127
Brugia malayi Cyclin C 0.0029 0.0331 0.1185
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Echinococcus granulosus intermediate filament protein 0.0027 0.0285 0.0277
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0463 0.1063
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0119 0.2145 0.2143
Loa Loa (eye worm) cyclin domain-containing protein 0.0119 0.2145 0.7857
Echinococcus granulosus fatty acid amide hydrolase 1 0.0105 0.1865 0.1861
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0064 0.0206
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Loa Loa (eye worm) hypothetical protein 0.0027 0.0285 0.1042
Echinococcus granulosus cyclin k 0.0029 0.0331 0.0323
Loa Loa (eye worm) TAR-binding protein 0.0064 0.104 0.381
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0119 0.2145 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0331 0.1211
Schistosoma mansoni tar DNA-binding protein 0.0064 0.104 0.1056
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0064 0.0056
Brugia malayi TAR-binding protein 0.0064 0.104 0.3792
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0029 0.0331 0.0904
Trypanosoma cruzi cyclin 6, putative 0.0119 0.2145 1
Trichomonas vaginalis cyclins, putative 0.0119 0.2145 0.5591
Loa Loa (eye worm) hypothetical protein 0.0026 0.0275 0.1007
Echinococcus granulosus Cyclin L1 0.0029 0.0331 0.0323
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0012 0.002
Trichomonas vaginalis cyclin B, putative 0.0119 0.2145 0.5591
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.1063
Echinococcus multilocularis cyclin G2 0.0029 0.0331 0.0323
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Trypanosoma brucei pteridine reductase 1 0.0013 0.0012 0.002
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0191 0.3577 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0013 0.0012 0.0012
Echinococcus granulosus cyclin B 0.0119 0.2145 0.2143
Echinococcus multilocularis cyclin A3 4 0.0029 0.0331 0.0323
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.001 0.0002
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.2698 0.9881
Trypanosoma cruzi CYC2-like cyclin, putative 0.0119 0.2145 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0425 0.1531
Onchocerca volvulus 0.0119 0.2145 0.7847
Schistosoma mansoni cyclin G 0.0029 0.0331 0.033
Trichomonas vaginalis cyclins, putative 0.0119 0.2145 0.5591
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0012 0.001
Echinococcus granulosus cyclin G2 0.0029 0.0331 0.0323
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.4286 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0105 0.1865 0.1861
Trichomonas vaginalis cyclins, putative 0.0119 0.2145 0.5591
Schistosoma mansoni tar DNA-binding protein 0.0064 0.104 0.1056
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0029 0.0331 0.0323
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0029 0.0331 0.1211
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0012 0.0016
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Onchocerca volvulus 0.0027 0.0285 0.1002
Loa Loa (eye worm) hypothetical protein 0.0029 0.0331 0.1211
Echinococcus multilocularis calcium activated potassium channel 0.0013 0.002 0.0012
Echinococcus multilocularis GPCR, family 2 0.0016 0.0064 0.0056
Echinococcus granulosus calcium activated potassium channel 0.0013 0.002 0.0012
Entamoeba histolytica cyclin, putative 0.0119 0.2145 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0425 0.1555
Schistosoma mansoni cyclin B3 0.0119 0.2145 0.2187
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0191 0.3577 0.8343
Echinococcus granulosus cyclin b3 0.0119 0.2145 0.2143
Schistosoma mansoni hypothetical protein 0.0016 0.0064 0.0057
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0463 0.1274
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0105 0.1865 0.1858
Entamoeba histolytica cyclin family protein 0.0119 0.2145 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0547 0.2508
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0012 0.0004
Schistosoma mansoni cyclin G2 0.0029 0.0331 0.033
Echinococcus granulosus tumor protein p63 0.0332 0.6411 0.6418
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0463 0.1274
Trypanosoma brucei mitotic cyclin 0.0029 0.0331 0.1509
Schistosoma mansoni Cyclin fold protein 0.0029 0.0331 0.033
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0012 0.0012
Echinococcus granulosus cyclins 0.0029 0.0331 0.0323
Echinococcus granulosus cyclin G2 0.0029 0.0331 0.0323
Entamoeba histolytica cyclin C, putative 0.0029 0.0331 0.1492
Schistosoma mansoni hypothetical protein 0.0016 0.0064 0.0057
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0285 0.1016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0463 0.0465
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Brugia malayi intermediate filament protein 0.0027 0.0285 0.1016
Loa Loa (eye worm) CYL-1 protein 0.0029 0.0331 0.1211
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.1063
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0013 0.0012 0.0012
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0029 0.0331 0.1509
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0463 0.167
Echinococcus granulosus cyclins 0.0119 0.2145 0.2143
Echinococcus multilocularis tar DNA binding protein 0.0064 0.104 0.1033
Echinococcus granulosus cyclin y 0.0029 0.0331 0.0323
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0064 0.0056
Echinococcus multilocularis tumor protein p63 0.0332 0.6411 0.6408
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0029 0.0331 0.0323
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0331 0.0904
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0619 0.089
Mycobacterium ulcerans hypothetical protein 0.0035 0.0463 0.1274
Toxoplasma gondii hypothetical protein 0.0029 0.0331 0.0893
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0013 0.0012 0.0012
Echinococcus granulosus cyclins 0.0119 0.2145 0.2143
Brugia malayi cyclin fold protein 1 variant b 0.0029 0.0331 0.1185
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0013 0.0012 0.0004
Trypanosoma brucei oxidoreductase-like protein 0.0013 0.0012 0.002
Echinococcus multilocularis lamin dm0 0.0027 0.0285 0.0277
Plasmodium falciparum cyclin 0.0119 0.2145 0.5989
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0736 0.2672
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0463 0.0456
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0029 0.0331 0.0323
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Schistosoma mansoni cyclin d 0.0029 0.0331 0.033
Trypanosoma brucei cyclin 9 0.0029 0.0331 0.1509
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0013 0.0012 0.001
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0191 0.3577 1
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Onchocerca volvulus 0.0149 0.2731 1
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Schistosoma mansoni hypothetical protein 0.0029 0.0331 0.033
Echinococcus multilocularis cyclin t1 0.0029 0.0331 0.0323
Onchocerca volvulus 0.0035 0.0463 0.1657
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0064 0.0206
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0119 0.2145 0.7857
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Plasmodium falciparum cyclin 1 0.0029 0.0331 0.0904
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0013 0.0008 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0728 0.0737
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0619 0.1703
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0013 0.0012 0.0012
Echinococcus multilocularis ankyrin repeat protein 0.05 0.978 0.978
Brugia malayi amidase 0.0105 0.1865 0.682
Schistosoma mansoni tar DNA-binding protein 0.0064 0.104 0.1056
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0045
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.2698 0.2693
Echinococcus granulosus lamin dm0 0.0027 0.0285 0.0277
Onchocerca volvulus 0.0029 0.0331 0.1171
Trypanosoma cruzi mitotic cyclin, putative 0.0029 0.0331 0.1509
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0463 0.2127
Schistosoma mansoni hypothetical protein 0.0029 0.0331 0.033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0463 0.1694
Brugia malayi hypothetical protein 0.0029 0.0331 0.1185
Loa Loa (eye worm) RNA binding protein 0.0064 0.104 0.381
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0463 0.1063
Leishmania major mitotic cyclin, putative 0.0029 0.0331 0.1509
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0331 0.1509
Schistosoma mansoni g1/s-specific cyclin C 0.0029 0.0331 0.033
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0012 0.0012
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0191 0.3577 1
Trypanosoma cruzi cyclin 9, putative 0.0029 0.0331 0.1509
Trichomonas vaginalis cyclin D, putative 0.0119 0.2145 0.5591
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0105 0.1865 0.1858
Trichomonas vaginalis hypothetical protein 0.0191 0.3577 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0191 0.3577 1
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0013 0.0012 0.0012
Onchocerca volvulus 0.0027 0.0285 0.1002
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0463 0.0407
Trichomonas vaginalis cyclin B, putative 0.0119 0.2145 0.5591
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0012 0.0004
Leishmania major cyclin 0.0119 0.2145 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0736 0.2694
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0012 0.0012
Echinococcus granulosus tar DNA binding protein 0.0064 0.104 0.1035
Schistosoma mansoni hypothetical protein 0.0034 0.0425 0.0426
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0407
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0619 0.089
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.05 0.978 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.104 0.381
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0064 0.0056
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0013 0.0012 0.002
Echinococcus multilocularis cyclin y 0.0029 0.0331 0.0323
Mycobacterium ulcerans lipase LipD 0.0035 0.0463 0.1274
Echinococcus granulosus lamin 0.0027 0.0285 0.0277
Echinococcus granulosus G1:S specific cyclin D1 0.0029 0.0331 0.0323
Echinococcus multilocularis musashi 0.0027 0.0285 0.0277
Trypanosoma brucei cyclin 3 0.0029 0.0331 0.1509
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0012 0.0012
Mycobacterium tuberculosis Probable oxidoreductase 0.0013 0.0012 0.001
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Trichomonas vaginalis cyclin B, putative 0.0119 0.2145 0.5591
Echinococcus granulosus cyclins 0.0119 0.2145 0.2143
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0463 0.0407
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0407
Brugia malayi RNA binding protein 0.0064 0.104 0.3792
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.2616 0.2614
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0012 0.001
Schistosoma mansoni cyclin B 0.0119 0.2145 0.2187
Brugia malayi Cyclin, N-terminal domain containing protein 0.0119 0.2145 0.785
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0463 0.1063
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0191 0.3577 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0407
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0013 0.0012 0.001
Echinococcus multilocularis cyclins 0.0119 0.2145 0.2139
Mycobacterium ulcerans oxidoreductase 0.0013 0.0012 0.0012
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0463 0.1063
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0012 0.0045
Trichomonas vaginalis cyclin A, putative 0.0119 0.2145 0.5591
Loa Loa (eye worm) cyclin C 0.0029 0.0331 0.1211
Schistosoma mansoni lamin 0.0027 0.0285 0.0283
Toxoplasma gondii ABC1 family protein 0.0035 0.0463 0.1264
Echinococcus granulosus cyclins 0.0119 0.2145 0.2143
Echinococcus granulosus cyclin B3 1 0.0119 0.2145 0.2143
Loa Loa (eye worm) beta-lactamase 0.0035 0.0463 0.1694
Echinococcus granulosus ankyrin repeat protein 0.05 0.978 0.9795
Toxoplasma gondii cyclin 4, putative 0.0029 0.0331 0.0893
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0463 0.1063
Echinococcus multilocularis cyclin k 0.0029 0.0331 0.0323
Onchocerca volvulus Protein CNPPD1 homolog 0.0029 0.0331 0.1171
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0012 0.0045
Schistosoma mansoni cyclins 0.0119 0.2145 0.2187
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0038 0.0139
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0463 0.1274
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0547 0.1194
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Trichomonas vaginalis cyclin B3, putative 0.0119 0.2145 0.5591
Trichomonas vaginalis cyclins, putative 0.0119 0.2145 0.5591
Giardia lamblia Hypothetical protein 0.0119 0.2145 1
Echinococcus granulosus cyclins 0.0119 0.2145 0.2143
Trichomonas vaginalis esterase, putative 0.0035 0.0463 0.0407
Plasmodium vivax cyclin 4, putative 0.0029 0.0331 0.0904
Brugia malayi Cyclin, N-terminal domain containing protein 0.0119 0.2145 0.785
Leishmania major mitotic cyclin, putative 0.0029 0.0331 0.1509
Brugia malayi hypothetical protein 0.0149 0.2731 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.104 0.1056
Echinococcus multilocularis cyclin B3 1 0.0119 0.2145 0.2139
Mycobacterium ulcerans beta-lactamase 0.0035 0.0463 0.1274
Echinococcus multilocularis cyclin 0.0029 0.0331 0.0323
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0012 0.0012
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0463 0.2127
Schistosoma mansoni cyclin k 0.0029 0.0331 0.033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0619 0.0613
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0736 0.2672
Chlamydia trachomatis oxoacy-ACP reductase 0.0013 0.0012 0.0012
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0736 0.2694
Onchocerca volvulus 0.0035 0.0463 0.1657
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.1694
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0029 0.0331 0.0323
Trichomonas vaginalis cyclin D, putative 0.0119 0.2145 0.5591
Loa Loa (eye worm) cyclin domain-containing protein 0.0029 0.0331 0.1211
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0029 0.0331 0.0893
Toxoplasma gondii cyclin dependent kinase binding protein 0.0029 0.0331 0.0893
Toxoplasma gondii hypothetical protein 0.0091 0.1568 0.4365
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0012 0.0012
Brugia malayi Cyclin, N-terminal domain containing protein 0.0029 0.0331 0.1185
Brugia malayi hypothetical protein 0.0029 0.0331 0.1185
Schistosoma mansoni amidase 0.0105 0.1865 0.19

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 6462 cm Anxiolytic activity in BALB/c mouse assessed as distance moved at equimolar oral dose relative to 20 mg/kg fluoxetine after 90 mins by open-field test (RVb= 8485+/-610 cm) ChEMBL. 19378992
Activity (functional) = 7767 cm Anxiolytic activity in BALB/c mouse assessed as distance moved at equimolar oral dose relative to 5 mg/kg fluoxetine after 90 mins by open-field test (RVb= 8485+/-610 cm) ChEMBL. 19378992
Activity (functional) = 8003 cm Anxiolytic activity in BALB/c mouse assessed as distance moved at equimolar oral dose relative to 10 mg/kg fluoxetine after 90 mins by open-field test (RVb= 8485+/-610 cm) ChEMBL. 19378992
Activity (functional) = 5.39 cm/s Anxiolytic activity in BALB/c mouse assessed as velocity at equimolar oral dose relative to 20 mg/kg fluoxetine after 90 mins by open-field test (RVb= 7.07+/-0.51 cm/s) ChEMBL. 19378992
Activity (functional) = 6.47 cm/s Anxiolytic activity in BALB/c mouse assessed as velocity at equimolar oral dose relative to 5 mg/kg fluoxetine after 90 mins by open-field test (RVb= 7.07+/-0.51 cm/s) ChEMBL. 19378992
Activity (functional) = 6.67 cm/s Anxiolytic activity in BALB/c mouse assessed as velocity at equimolar oral dose relative to 10 mg/kg fluoxetine after 90 mins by open-field test (RVb= 7.07+/-0.51 cm/s) ChEMBL. 19378992
Activity (functional) = 501.5 s Anxiolytic activity in BALB/c mouse assessed as immobility at equimolar oral dose relative to 5 mg/kg fluoxetine after 90 mins by open-field test (RVb= 458.4+/-41 s) ChEMBL. 19378992
Activity (functional) = 536.3 s Anxiolytic activity in BALB/c mouse assessed as immobility at equimolar oral dose relative to 10 mg/kg fluoxetine after 90 mins by open-field test (RVb= 458.4+/-41 s) ChEMBL. 19378992
Activity (functional) = 639.9 s Anxiolytic activity in BALB/c mouse assessed as immobility at equimolar oral dose relative to 20 mg/kg fluoxetine after 90 mins by open-field test (RVb= 458.4+/-41 s) ChEMBL. 19378992

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

No literature references available for this target.

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