Detailed information for compound 450842

Basic information

Technical information
  • TDR Targets ID: 450842
  • Name: 4-(3,5-difluorobenzoyl)-1-[4-(1-propan-2-ylpi peridin-4-yl)oxyphenyl]piperazin-2-one; formi c acid
  • MW: 503.538 | Formula: C26H31F2N3O5
  • H donors: 1 H acceptors: 4 LogP: 3.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cc(F)cc(c1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C(C)C.OC=O
  • InChi: 1S/C25H29F2N3O3.CH2O2/c1-17(2)28-9-7-23(8-10-28)33-22-5-3-21(4-6-22)30-12-11-29(16-24(30)31)25(32)18-13-19(26)15-20(27)14-18;2-1-3/h3-6,13-15,17,23H,7-12,16H2,1-2H3;1H,(H,2,3)
  • InChiKey: BKLPUYQJSHHECO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3,5-difluorobenzoyl)-1-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]piperazin-2-one; formic acid
  • 4-[(3,5-difluorophenyl)-oxomethyl]-1-[4-[(1-isopropyl-4-piperidinyl)oxy]phenyl]-2-piperazinone; formic acid
  • 4-(3,5-difluorophenyl)carbonyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one; methanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H1 Starlite/ChEMBL References
Homo sapiens histamine receptor H3 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 Neurogenic locus notch homolog 0.0033 0.0265 0.0064
Brugia malayi Pre-SET motif family protein 0.0197 0.2144 0.2139
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0053 0.0494 0.0494
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.001 0.0007 0.5
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Echinococcus granulosus Tolloid protein 1 0.0053 0.0494 0.1147
Echinococcus multilocularis enteropeptidase 0.0096 0.0989 0.2296
Echinococcus multilocularis 0.001 0.0007 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.001 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Echinococcus multilocularis transmembrane protease serine 3 0.0096 0.0989 0.2296
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0096 0.0989 0.0982
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.001 0.0007 0.5
Schistosoma mansoni septate junction protein 0.0033 0.0265 0.0259
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Trypanosoma cruzi hypothetical protein, conserved 0.0094 0.096 1
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0101 0.0101
Onchocerca volvulus 0.0225 0.2455 0.2299
Loa Loa (eye worm) hypothetical protein 0.0032 0.026 0.026
Onchocerca volvulus Slit protein homolog 0.0033 0.0265 0.0064
Loa Loa (eye worm) hypothetical protein 0.0047 0.043 0.043
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Onchocerca volvulus 0.0057 0.0538 0.0343
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.001 0.0007 0.5
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Echinococcus multilocularis dnaJ subfamily B 0.0387 0.4305 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.001 0.0007 0.5
Echinococcus multilocularis cpg binding protein 0.0029 0.022 0.0511
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0221 0.0214
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Brugia malayi Cadherin domain containing protein 0.0033 0.0265 0.0259
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Schistosoma mansoni slit 0.0033 0.0265 0.0259
Schistosoma mansoni hypothetical protein 0.0096 0.0989 0.0982
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.001 0.0007 0.5
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0053 0.0494 0.0487
Brugia malayi Cytochrome P450 family protein 0.0018 0.0101 0.0095
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.001 0.0007 0.5
Brugia malayi Delta serrate ligand family protein 0.0033 0.0265 0.0259
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Toxoplasma gondii hypothetical protein 0.0057 0.0538 0.0536
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0056
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0057 0.0538 0.0536
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0203 0.047
Onchocerca volvulus 0.079 0.8904 0.8881
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0101 1
Echinococcus multilocularis neurogenic locus notch protein 0.0033 0.0265 0.0616
Echinococcus granulosus ephrin type A receptor 4 A 0.0061 0.0587 0.1363
Loa Loa (eye worm) notch protein 0.0033 0.0265 0.0265
Echinococcus multilocularis neurogenic locus notch protein 4 0.0033 0.0265 0.0616
Echinococcus multilocularis notch 0.0033 0.0265 0.0616
Toxoplasma gondii kringle domain-containing protein 0.0094 0.096 0.0961
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.001 0.0007 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0101 0.0992
Loa Loa (eye worm) hypothetical protein 0.0886 1 1
Echinococcus multilocularis fibrillin 1 0.0053 0.0494 0.1147
Onchocerca volvulus 0.0029 0.0221 0.0019
Loa Loa (eye worm) hypothetical protein 0.0055 0.052 0.052
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0096 0.0989 0.0982
Toxoplasma gondii calcium binding egf domain-containing protein 0.0053 0.0494 0.0491
Loa Loa (eye worm) hypothetical protein 0.0031 0.0242 0.0242
Echinococcus multilocularis Mastin 0.0096 0.0989 0.2296
Onchocerca volvulus 0.0033 0.0265 0.0064
Schistosoma mansoni cell polarity protein 0.0033 0.0265 0.0259
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.001 0.0007 0.5
Onchocerca volvulus Putative cubilin 0.0033 0.0265 0.0064
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0062 0.0062
Echinococcus granulosus GPCR family 2 0.0015 0.0062 0.0145
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0056
Echinococcus granulosus neural cadherin 0.0033 0.0265 0.0616
Loa Loa (eye worm) hypothetical protein 0.0096 0.0989 0.0989
Trichomonas vaginalis set domain proteins, putative 0.0225 0.2455 0.5
Echinococcus granulosus laminin 0.0053 0.0494 0.1147
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Leishmania major cytochrome p450-like protein 0.0018 0.0101 0.0992
Toxoplasma gondii microneme protein MIC4 0.0057 0.0538 0.0536
Echinococcus granulosus neurogenic locus notch protein 0.0033 0.0265 0.0616
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Echinococcus multilocularis tissue type plasminogen activator 0.0094 0.096 0.2229
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Brugia malayi CXXC zinc finger family protein 0.0027 0.0202 0.0195
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Loa Loa (eye worm) cytochrome P450 0.001 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0062 0.0062
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0094 0.096 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0053 0.0494 0.0494
Echinococcus multilocularis GPCR, family 2 0.0015 0.0062 0.0145
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0101 0.0963
Brugia malayi Protein kinase domain containing protein 0.0094 0.0967 0.0961
Brugia malayi Cytochrome P450 family protein 0.0018 0.0101 0.0095
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.001 0.0007 0.5
Toxoplasma gondii microneme protein MIC17B 0.0057 0.0538 0.0536
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.001 0.0007 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.043 0.0424
Schistosoma mansoni hypothetical protein 0.0096 0.0989 0.0982
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Onchocerca volvulus Arrow homolog 0.0053 0.0494 0.0298
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.043 0.043
Brugia malayi Calcium binding EGF domain containing protein 0.0053 0.0494 0.0487
Toxoplasma gondii PAN domain-containing protein 0.0879 0.9921 1
Echinococcus granulosus glycoprotein Antigen 5 0.0096 0.0989 0.2296
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0053 0.0494 0.0494
Loa Loa (eye worm) hypothetical protein 0.0053 0.0494 0.0494
Echinococcus granulosus transmembrane protease serine 3 0.0096 0.0989 0.2296
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0096 0.0989 0.2296
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Echinococcus granulosus tissue type plasminogen activator 0.0094 0.096 0.2229
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.001 0.0007 0.5
Toxoplasma gondii EGF family domain-containing protein 0.0033 0.0265 0.0261
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.001 0.0007 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0197 0.2144 0.2144
Onchocerca volvulus 0.0057 0.0538 0.0343
Loa Loa (eye worm) PAN domain-containing protein 0.0057 0.0538 0.0538
Onchocerca volvulus 0.0096 0.0989 0.0803
Onchocerca volvulus 0.0057 0.0538 0.0343
Giardia lamblia High cysteine protein 0.0033 0.0265 0.5
Toxoplasma gondii hypothetical protein 0.0057 0.0538 0.0536
Schistosoma mansoni cpg binding protein 0.0029 0.022 0.0213
Echinococcus multilocularis fat cadherin tumor suppressor 0.0033 0.0265 0.0616
Echinococcus granulosus slit 2 protein 0.0033 0.0265 0.0616
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0056
Toxoplasma gondii microneme protein, putative 0.0057 0.0538 0.0536
Onchocerca volvulus 0.0057 0.0538 0.0343
Brugia malayi hypothetical protein 0.0096 0.0989 0.0982
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.043 0.0424
Loa Loa (eye worm) PAN domain-containing protein 0.0057 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0096 0.0989 0.0989
Brugia malayi notch-like transmembrane receptor 0.0033 0.0265 0.0259
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Toxoplasma gondii PAN domain-containing protein 0.0057 0.0538 0.0536
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Toxoplasma gondii subtilisin SUB12 0.0057 0.0538 0.0536
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Onchocerca volvulus 0.0033 0.0265 0.0064
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.2296
Echinococcus granulosus protein jagged 2 0.0033 0.0265 0.0616
Echinococcus multilocularis ephrin type A receptor 4 A 0.0061 0.0587 0.1363
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Echinococcus multilocularis glycoprotein Antigen 5 0.0096 0.0989 0.2296
Brugia malayi Trypsin family protein 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.0221
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.001 0.0007 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0094 0.096 0.5
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Brugia malayi GCC2 and GCC3 family protein 0.0033 0.0265 0.0259
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0221 0.0214
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Loa Loa (eye worm) PAN domain-containing protein 0.0057 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0056
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Onchocerca volvulus 0.0096 0.0989 0.0803
Echinococcus multilocularis neurogenic locus protein delta 0.0033 0.0265 0.0616
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.001 0.0007 0.5
Onchocerca volvulus 0.006 0.0579 0.0385
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0886 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0033 0.0265 0.0259
Brugia malayi Kringle domain containing protein 0.0094 0.096 0.0954
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Echinococcus multilocularis laminin 0.0053 0.0494 0.1147
Toxoplasma gondii calcium binding egf domain-containing protein 0.0053 0.0494 0.0491
Echinococcus multilocularis neural cadherin 0.0033 0.0265 0.0616
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0145
Echinococcus multilocularis slit 2 protein 0.0033 0.0265 0.0616
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0221 0.0514
Echinococcus granulosus dnaJ subfamily B 0.0387 0.4305 1
Onchocerca volvulus 0.0094 0.096 0.0773
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Toxoplasma gondii microneme protein MIC17A 0.0057 0.0538 0.0536
Brugia malayi Cadherin domain containing protein 0.0033 0.0265 0.0259
Echinococcus granulosus protein jagged 1 0.0033 0.0265 0.0616
Echinococcus granulosus cytochrome P450 2K1 0.001 0.0007 0.0016
Brugia malayi ephrin receptor 1 precursor 0.0029 0.0224 0.0217
Onchocerca volvulus 0.0057 0.0538 0.0343
Echinococcus granulosus delta-like protein 1 0.0033 0.0265 0.0616
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Schistosoma mansoni hypothetical protein 0.0387 0.4305 0.4301
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0033 0.0265 0.0259
Onchocerca volvulus 0.0057 0.0538 0.0343
Onchocerca volvulus 0.0033 0.0265 0.0064
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0094 0.096 0.096
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0101 0.0101
Loa Loa (eye worm) TK/ROR protein kinase 0.0094 0.0967 0.0967
Mycobacterium leprae Conserved hypothetical protein 0.001 0.0007 0.5
Echinococcus multilocularis fibropellin Ia 0.0033 0.0265 0.0616
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.0982
Brugia malayi Calcium binding EGF domain containing protein 0.0033 0.0265 0.0259
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Onchocerca volvulus 0.0057 0.0538 0.0343
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.001 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0053 0.0494 0.0494
Onchocerca volvulus 0.0057 0.0538 0.0343
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Schistosoma mansoni laminin gamma-3 chain 0.0033 0.0265 0.0259
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Brugia malayi Muscle positioning protein 4 0.0033 0.0265 0.0259
Loa Loa (eye worm) TK/EPH protein kinase 0.0077 0.0775 0.0775
Echinococcus multilocularis protein jagged 2 0.0033 0.0265 0.0616
Echinococcus granulosus protein jagged 2 0.0033 0.0265 0.0616
Onchocerca volvulus 0.0096 0.0989 0.0803
Echinococcus multilocularis protein jagged 1 0.0033 0.0265 0.0616
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.001 0.0007 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Mycobacterium leprae putative cytochrome p450 0.001 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Mycobacterium ulcerans hypothetical protein 0.0096 0.0989 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0561 0.0555
Loa Loa (eye worm) hypothetical protein 0.0096 0.0989 0.0989
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.001 0.0007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.001 0.0007 0.5
Echinococcus granulosus notch 0.0033 0.0265 0.0616
Onchocerca volvulus 0.0033 0.0265 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.001 0.0007 0.5
Schistosoma mansoni hypothetical protein 0.0094 0.096 0.0954
Onchocerca volvulus 0.0057 0.0538 0.0343
Brugia malayi EGF-like domain containing protein 0.0033 0.0265 0.0259
Toxoplasma gondii microneme protein MIC17C 0.0057 0.0538 0.0536
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0202 0.0202
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0145
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Echinococcus granulosus neurogenic locus notch protein 0.0033 0.0265 0.0616
Loa Loa (eye worm) Notch2 0.0033 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0096 0.0989 0.0989
Brugia malayi Pre-SET motif family protein 0.0029 0.0221 0.0214
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Toxoplasma gondii histone lysine methyltransferase SET1 0.0052 0.0491 0.0489
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0145
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.0982
Brugia malayi Fibulin-1 precursor 0.0053 0.0494 0.0487
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0886 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0033 0.0265 0.0259
Toxoplasma gondii PAN domain-containing protein 0.0879 0.9921 1
Schistosoma mansoni cpg binding protein 0.0029 0.022 0.0213
Echinococcus granulosus enteropeptidase 0.0096 0.0989 0.2296
Onchocerca volvulus 0.0057 0.0538 0.0343
Echinococcus granulosus fibropellin Ia 0.0033 0.0265 0.0616
Echinococcus granulosus neurogenic locus protein delta 0.0033 0.0265 0.0616
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.026 0.0253
Toxoplasma gondii PAN domain-containing protein 0.0057 0.0538 0.0536
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0053 0.0494 0.0494
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0096 0.0989 0.2296
Echinococcus granulosus Mastin 0.0096 0.0989 0.2296
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0221 0.0214
Brugia malayi Trypsin family protein 0.0096 0.0989 0.0982
Onchocerca volvulus 0.0057 0.0538 0.0343
Echinococcus granulosus cpg binding protein 0.0029 0.022 0.0511
Loa Loa (eye worm) hypothetical protein 0.0096 0.0989 0.0989
Schistosoma mansoni ephrin receptor 0.0061 0.0587 0.058
Echinococcus multilocularis neurogenic locus notch protein 0.0033 0.0265 0.0616
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0101 0.0992
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0053 0.0494 0.0487
Onchocerca volvulus 0.0886 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0033 0.0265 0.0064
Toxoplasma gondii PAN/Apple domain-containing protein 0.0057 0.0538 0.0536
Onchocerca volvulus 0.0033 0.0265 0.0064
Brugia malayi Cytochrome P450 family protein 0.0046 0.0419 0.0412
Leishmania major hypothetical protein, conserved 0.0094 0.096 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0494 0.0494
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Toxoplasma gondii PAN domain-containing protein 0.0057 0.0538 0.0536
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0221 0.0514
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Brugia malayi PAN domain containing protein 0.0057 0.0538 0.0531
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0096 0.0989 0.2296
Echinococcus multilocularis protein jagged 1 0.0033 0.0265 0.0616
Loa Loa (eye worm) hypothetical protein 0.006 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0033 0.0265 0.0265
Brugia malayi Trypsin-like protease protein 5 0.0096 0.0989 0.0982
Schistosoma mansoni egf-like domain protein 0.0053 0.0494 0.0487
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0221 0.0216
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0145
Schistosoma mansoni cpg binding protein 0.0027 0.0202 0.0195
Schistosoma mansoni notch 0.0033 0.0265 0.0259
Echinococcus multilocularis neurogenic locus protein delta 0.0033 0.0265 0.0616
Loa Loa (eye worm) hypothetical protein 0.0057 0.0538 0.0538
Loa Loa (eye worm) PAN domain-containing protein 0.0057 0.0538 0.0538
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0989 0.0982
Schistosoma mansoni hypothetical protein 0.0033 0.0265 0.0259
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982
Loa Loa (eye worm) trypsin family protein 0.0096 0.0989 0.0989
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0221 0.0214
Echinococcus granulosus protein jagged 1 0.0033 0.0265 0.0616
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0886 1 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0033 0.0265 0.0259
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0062 0.0056
Toxoplasma gondii PAN domain-containing protein 0.0057 0.0538 0.0536
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0062 0.0056
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0221 0.0514
Onchocerca volvulus 0.0096 0.0989 0.0803
Echinococcus multilocularis Tolloid protein 1 0.0053 0.0494 0.1147
Schistosoma mansoni hypothetical protein 0.0032 0.026 0.0253
Loa Loa (eye worm) PAN domain-containing protein 0.0057 0.0538 0.0538
Onchocerca volvulus 0.0096 0.0989 0.0803
Echinococcus granulosus neurogenic locus notch protein 4 0.0033 0.0265 0.0616
Brugia malayi Trypsin family protein 0.0096 0.0989 0.0982
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0419 0.0419
Schistosoma mansoni cercarial elastase (S01 family) 0.0096 0.0989 0.0982

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < -4.2 Displacement of [3H]dofetilide from hERG expressed in CHOK1 cells ChEMBL. 18052318
Ki (functional) = -8.7 Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as reduction of histamine-induced [35S]GTPgammaS binding ChEMBL. 18052318
Ki (functional) < -5.6 Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced cellular calcium mobilization ChEMBL. 18052318
Log D = 0.06 Partition coefficient, log D of the compound at pH 7.4 ChEMBL. 18052318
Log IC50 (binding) < 4.2 Displacement of [3H]dofetilide from hERG expressed in CHOK1 cells ChEMBL. 18052318
Log Ki (functional) Antagonist activity at human recombinant adrenergic alpha 1B receptor expressed in Rat1 cells assessed as inhibition of phenylephrine-induced cellular calcium mobilization ChEMBL. 18052318
Log Ki (functional) Antagonist activity at human recombinant adrenergic alpha 1A receptor expressed in Rat1 cells assessed as inhibition of phenylephrine-induced cellular calcium mobilization ChEMBL. 18052318
Log Ki (functional) 0 Antagonist activity at human recombinant adrenergic alpha 1A receptor expressed in Rat1 cells assessed as inhibition of phenylephrine-induced cellular calcium mobilization ChEMBL. 18052318
Log Ki (functional) 0 Antagonist activity at human recombinant adrenergic alpha 1B receptor expressed in Rat1 cells assessed as inhibition of phenylephrine-induced cellular calcium mobilization ChEMBL. 18052318
Log Ki (functional) < 5.6 Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced cellular calcium mobilization ChEMBL. 18052318
Log Ki (functional) = 8.7 Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as reduction of histamine-induced [35S]GTPgammaS binding ChEMBL. 18052318

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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