Detailed information for compound 52919

Basic information

Technical information
  • TDR Targets ID: 52919
  • Name: 2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amin o]-2-methylpropan-1-ol
  • MW: 278.347 | Formula: C15H22N2O3
  • H donors: 4 H acceptors: 2 LogP: 0.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(NCC(COc1cccc2c1cc[nH]2)O)(C)C
  • InChi: 1S/C15H22N2O3/c1-15(2,10-18)17-8-11(19)9-20-14-5-3-4-13-12(14)6-7-16-13/h3-7,11,16-19H,8-10H2,1-2H3
  • InChiKey: BFFLSLPWRACIBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methyl-propan-1-ol
  • 2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methyl-1-propanol

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
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni hypothetical protein 0.0021 0.001 0.001
Mycobacterium ulcerans regulatory protein 0.003 0.0035 0.0055
Leishmania major protein kinase A regulatory subunit, putative 0.003 0.0035 0.0015
Loa Loa (eye worm) hypothetical protein 0.3668 1 1
Onchocerca volvulus 0.0826 0.2215 0.2197
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0823 0.2208 0.3813
Loa Loa (eye worm) trypsin family protein 0.0823 0.2208 0.2208
Mycobacterium tuberculosis Hypothetical protein 0.0933 0.2509 0.4708
Treponema pallidum catabolite gene activator (Crp) 0.003 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0823 0.2208 0.2208
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0823 0.2208 0.2208
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.003 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0823 0.2208 0.2208
Loa Loa (eye worm) hypothetical protein 0.0823 0.2208 0.2208
Loa Loa (eye worm) Notch2 0.0826 0.2215 0.2215
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0101 0.0101
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0227 0.0574 0.0991
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.1691 0.4584 0.4584
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Onchocerca volvulus Slit protein homolog 0.0826 0.2215 0.2197
Loa Loa (eye worm) hypothetical protein 0.0197 0.0492 0.0492
Onchocerca volvulus 0.0826 0.2215 0.2197
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Brugia malayi Egg laying defective protein 4 0.003 0.0035 0.0035
Echinococcus granulosus hyperpolarization activated cyclic 0.0045 0.0076 0.0131
Plasmodium vivax cysteine repeat modular protein 1, putative 0.2031 0.5516 0.7338
Echinococcus multilocularis neural cadherin 0.0826 0.2215 0.3825
Toxoplasma gondii microneme protein, putative 0.0647 0.1725 0.2259
Loa Loa (eye worm) AGC/PKG protein kinase 0.003 0.0035 0.0035
Loa Loa (eye worm) PAN domain-containing protein 0.0647 0.1725 0.1725
Mycobacterium ulcerans thymidylate synthase 0.1961 0.5325 1
Onchocerca volvulus 0.0826 0.2215 0.2197
Schistosoma mansoni hypothetical protein 0.2031 0.5516 0.5516
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0212 0.0533 0.2093
Brugia malayi N-terminal motif family protein 0.003 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Onchocerca volvulus 0.003 0.0035 0.0011
Loa Loa (eye worm) notch protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Onchocerca volvulus 0.0647 0.1725 0.1706
Schistosoma mansoni cpg binding protein 0.0033 0.0043 0.0043
Echinococcus granulosus neurogenic locus notch protein 4 0.0826 0.2215 0.3825
Brugia malayi Calcium binding EGF domain containing protein 0.0826 0.2215 0.2215
Echinococcus granulosus neurogenic locus notch protein 0.0826 0.2215 0.3825
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0024 0.0024
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.0133 0.0133
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0024 0.0034
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.003 0.0035 0.0035
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0045 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0037 0.0054 0.0054
Toxoplasma gondii PAN domain-containing protein 0.2709 0.7372 0.9807
Brugia malayi Fibulin-1 precursor 0.1691 0.4584 0.4584
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0823 0.2208 0.2208
Onchocerca volvulus 0.2845 0.7745 0.774
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Mycobacterium ulcerans hypothetical protein 0.003 0.0035 0.0055
Loa Loa (eye worm) PAN domain-containing protein 0.0647 0.1725 0.1725
Brugia malayi Protein kinase domain containing protein 0.2031 0.5516 0.5516
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0024 0.5
Leishmania major hypothetical protein, conserved 0.2031 0.5516 0.7331
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0006 0.0005
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2761 0.7516 1
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.003 0.0035 0.006
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.003 0.0035 0.0035
Onchocerca volvulus 0.0647 0.1725 0.1706
Brugia malayi CXXC zinc finger family protein 0.0031 0.0039 0.0039
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Echinococcus multilocularis protein jagged 2 0.0826 0.2215 0.3825
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Onchocerca volvulus 0.3668 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0036 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Echinococcus multilocularis Mastin 0.2131 0.5791 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0826 0.2215 0.2197
Loa Loa (eye worm) hypothetical protein 0.0054 0.0101 0.0101
Echinococcus granulosus hyperpolarization activated cyclic 0.0045 0.0076 0.0131
Schistosoma mansoni cell polarity protein 0.0826 0.2215 0.2215
Brugia malayi Trypsin family protein 0.0823 0.2208 0.2208
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0045 0.0076 0.0076
Onchocerca volvulus 0.0647 0.1725 0.1706
Brugia malayi notch-like transmembrane receptor 0.0826 0.2215 0.2215
Onchocerca volvulus 0.0647 0.1725 0.1706
Chlamydia trachomatis dihydrofolate reductase 0.08 0.2144 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0134 0.0134
Echinococcus multilocularis patatin phospholipase domain containing protein 0.003 0.0035 0.006
Onchocerca volvulus Neurogenic locus notch homolog 0.0826 0.2215 0.2197
Plasmodium falciparum cysteine repeat modular protein 1 0.2031 0.5516 0.7338
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0024 0.0024
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Onchocerca volvulus Putative cubilin 0.0826 0.2215 0.2197
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0823 0.2208 0.2208
Echinococcus granulosus Mastin 0.2131 0.5791 1
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0035 0.0035
Echinococcus granulosus cGMP dependent protein kinase 0.003 0.0035 0.006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0076 0.0263
Echinococcus multilocularis neurogenic locus notch protein 4 0.0826 0.2215 0.3825
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0035 0.01
Echinococcus granulosus neural cadherin 0.0826 0.2215 0.3825
Brugia malayi Cyclic-nucleotide gated cation channel 0.0045 0.0076 0.0076
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1691 0.4584 0.4584
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.003 0.0035 0.0039
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Brugia malayi GCC2 and GCC3 family protein 0.0826 0.2215 0.2215
Onchocerca volvulus 0.0823 0.2208 0.219
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Echinococcus granulosus single minded 2 0.0021 0.001 0.0017
Echinococcus multilocularis neurogenic locus protein delta 0.0826 0.2215 0.3825
Brugia malayi Kringle domain containing protein 0.2031 0.5516 0.5516
Echinococcus multilocularis transmembrane protease serine 3 0.0823 0.2208 0.3813
Toxoplasma gondii microneme protein MIC17B 0.0647 0.1725 0.2259
Echinococcus multilocularis dnaJ subfamily B 0.0445 0.1171 0.2022
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0045 0.0076 0.0131
Onchocerca volvulus 0.0647 0.1725 0.1706
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.003 0.0035 0.01
Echinococcus multilocularis tissue type plasminogen activator 0.2031 0.5516 0.9527
Brugia malayi Trypsin family protein 0.0823 0.2208 0.2208
Onchocerca volvulus 0.0823 0.2208 0.219
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.08 0.2144 0.4014
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0035 0.0035
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0035 0.01
Loa Loa (eye worm) hypothetical protein 0.1691 0.4584 0.4584
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2761 0.7516 1
Onchocerca volvulus 0.0823 0.2208 0.219
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.003 0.0035 0.0035
Onchocerca volvulus 0.0647 0.1725 0.1706
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Mycobacterium ulcerans transcriptional regulatory protein 0.003 0.0035 0.0055
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.003 0.0035 0.0033
Toxoplasma gondii microneme protein MIC17C 0.0647 0.1725 0.2259
Echinococcus granulosus Tolloid protein 1 0.1691 0.4584 0.7917
Brugia malayi Dihydrofolate reductase 0.08 0.2144 0.2144
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Leishmania major protein kinase, putative 0.003 0.0035 0.0015
Echinococcus multilocularis protein jagged 1 0.0826 0.2215 0.3825
Brugia malayi Calcium binding EGF domain containing protein 0.1691 0.4584 0.4584
Echinococcus granulosus transmembrane protease serine 3 0.0823 0.2208 0.3813
Leishmania major regulatory subunit of protein kinase a-like protein 0.003 0.0035 0.0015
Toxoplasma gondii kringle domain-containing protein 0.2031 0.5516 0.7327
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0227 0.0574 0.0574
Mycobacterium tuberculosis Conserved protein 0.003 0.0035 0.006
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.003 0.0035 0.0035
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0823 0.2208 0.3813
Echinococcus granulosus dihydrofolate reductase 0.08 0.2144 0.3702
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.003 0.0035 0.0035
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0021 0.001 0.001
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0212 0.0533 0.2093
Toxoplasma gondii PAN/Apple domain-containing protein 0.0647 0.1725 0.2259
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.003 0.0035 0.0035
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0826 0.2215 0.2215
Schistosoma mansoni similar to Protein C20orf152 homolog 0.003 0.0035 0.0035
Echinococcus multilocularis fat cadherin tumor suppressor 0.0826 0.2215 0.3825
Echinococcus granulosus protein jagged 2 0.0826 0.2215 0.3825
Echinococcus granulosus enteropeptidase 0.2131 0.5791 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0823 0.2208 0.3813
Schistosoma mansoni hypothetical protein 0.0823 0.2208 0.2208
Mycobacterium leprae Conserved hypothetical protein 0.003 0.0035 0.0047
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.1691 0.4584 0.4584
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Echinococcus multilocularis fibrillin 1 0.1691 0.4584 0.7917
Schistosoma mansoni voltage-gated potassium channel 0.0247 0.0631 0.0631
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0035 0.01
Echinococcus granulosus glycoprotein Antigen 5 0.2131 0.5791 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2761 0.7516 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0024 0.0024
Leishmania major hypothetical protein, conserved 0.003 0.0035 0.0015
Echinococcus granulosus neurogenic locus notch protein 0.0826 0.2215 0.3825
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.003 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0024 0.0034
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.003 0.0035 0.0039
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1961 0.5325 0.5325
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Toxoplasma gondii PAN domain-containing protein 0.0647 0.1725 0.2259
Echinococcus multilocularis thymidylate synthase 0.1961 0.5325 0.9197
Onchocerca volvulus 0.0647 0.1725 0.1706
Echinococcus granulosus cGMP dependent protein kinase 1 0.003 0.0035 0.006
Echinococcus granulosus protein jagged 1 0.0826 0.2215 0.3825
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0045 0.0076 0.0076
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Treponema pallidum cyclic nucleotide binding protein 0.003 0.0035 0.5
Brugia malayi Cadherin domain containing protein 0.0826 0.2215 0.2215
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0066 0.0133 0.0133
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0823 0.2208 0.2208
Echinococcus multilocularis cpg binding protein 0.0033 0.0043 0.0075
Loa Loa (eye worm) hypothetical protein 0.1691 0.4584 0.4584
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0823 0.2208 0.3813
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.003 0.0035 0.0035
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0024 0.5
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Echinococcus multilocularis fibropellin Ia 0.0826 0.2215 0.3825
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.003 0.0035 0.0137
Onchocerca volvulus 0.2031 0.5516 0.5506
Trypanosoma brucei cAMP binding protein, putative 0.003 0.0035 0.0033
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0039 0.0039
Toxoplasma gondii calcium binding egf domain-containing protein 0.1691 0.4584 0.6081
Schistosoma mansoni cpg binding protein 0.0033 0.0043 0.0043
Mycobacterium ulcerans hypothetical protein 0.003 0.0035 0.0055
Echinococcus granulosus voltage gated potassium channel 0.0066 0.0133 0.023
Echinococcus granulosus patatin phospholipase domain containing protein 0.003 0.0035 0.006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0024 0.0039
Loa Loa (eye worm) PAN domain-containing protein 0.0647 0.1725 0.1725
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0035
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0045 0.0076 0.0131
Brugia malayi dihydrofolate reductase family protein 0.08 0.2144 0.2144
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3668 1 1
Onchocerca volvulus 0.0647 0.1725 0.1706
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Plasmodium falciparum cGMP-dependent protein kinase 0.003 0.0035 0.0039
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1961 0.5325 1
Brugia malayi hypothetical protein 0.0933 0.2509 0.2509
Schistosoma mansoni septate junction protein 0.0826 0.2215 0.2215
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Echinococcus granulosus slit 2 protein 0.0826 0.2215 0.3825
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.0035 0.006
Echinococcus granulosus laminin 0.1691 0.4584 0.7917
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0024 0.0039
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Brugia malayi Calcium binding EGF domain containing protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0045 0.0076 0.0076
Echinococcus granulosus thymidylate synthase 0.1961 0.5325 0.9197
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.0035 0.006
Echinococcus multilocularis enteropeptidase 0.2131 0.5791 1
Onchocerca volvulus 0.0823 0.2208 0.219
Echinococcus multilocularis voltage gated potassium channel 0.0066 0.0133 0.023
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0066 0.0133 0.023
Loa Loa (eye worm) PAN domain-containing protein 0.0647 0.1725 0.1725
Onchocerca volvulus Arrow homolog 0.1691 0.4584 0.4571
Onchocerca volvulus 0.0826 0.2215 0.2197
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Brugia malayi Trypsin family protein 0.0823 0.2208 0.2208
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3668 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.2131 0.5791 0.5791
Onchocerca volvulus 0.1961 0.5325 0.5314
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2761 0.7516 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.003 0.0035 0.01
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0024 0.0025
Loa Loa (eye worm) dihydrofolate reductase 0.08 0.2144 0.2144
Echinococcus multilocularis hyperpolarization activated cyclic 0.0045 0.0076 0.0131
Leishmania major cyclic nucleotide-binding protein-like protein 0.003 0.0035 0.0015
Schistosoma mansoni hypothetical protein 0.0823 0.2208 0.2208
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0823 0.2208 0.2208
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.003 0.0035 0.006
Loa Loa (eye worm) TK/ROR protein kinase 0.2031 0.5516 0.5516
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Echinococcus multilocularis cGMP dependent protein kinase 1 0.003 0.0035 0.006
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Schistosoma mansoni hypothetical protein 0.0445 0.1171 0.1171
Onchocerca volvulus 0.0823 0.2208 0.219
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0045 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Leishmania major hypothetical protein, unknown function 0.003 0.0035 0.0015
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.08 0.2144 0.4022
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.1691 0.4584 0.4584
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.003 0.0035 0.006
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0826 0.2215 0.2215
Mycobacterium ulcerans hypothetical protein 0.003 0.0035 0.0055
Onchocerca volvulus 0.0647 0.1725 0.1706
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0823 0.2208 0.2208
Trypanosoma cruzi hypothetical protein, conserved 0.2031 0.5516 0.7327
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0024 0.0024
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.003 0.0035 0.006
Echinococcus granulosus protein jagged 2 0.0826 0.2215 0.3825
Toxoplasma gondii hypothetical protein 0.0647 0.1725 0.2259
Onchocerca volvulus 0.0031 0.0039 0.0015
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0076 0.0263
Brugia malayi Muscle positioning protein 4 0.0826 0.2215 0.2215
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1961 0.5325 1
Toxoplasma gondii PAN domain-containing protein 0.0647 0.1725 0.2259
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.003 0.0035 0.0011
Echinococcus multilocularis expressed conserved protein 0.003 0.0035 0.006
Brugia malayi Delta serrate ligand family protein 0.0826 0.2215 0.2215
Echinococcus multilocularis laminin 0.1691 0.4584 0.7917
Loa Loa (eye worm) PAN domain-containing protein 0.0647 0.1725 0.1725
Treponema pallidum cyclic nucleotide binding protein 0.003 0.0035 0.5
Echinococcus multilocularis protein jagged 1 0.0826 0.2215 0.3825
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0035 0.006
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.0035 0.0035
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0054 0.0054
Schistosoma mansoni voltage-gated potassium channel 0.0247 0.0631 0.0631
Brugia malayi Cadherin domain containing protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0823 0.2208 0.2208
Loa Loa (eye worm) thymidylate synthase 0.1961 0.5325 0.5325
Toxoplasma gondii PAN domain-containing protein 0.0647 0.1725 0.2259
Schistosoma mansoni 60S ribosomal protein L21 0.0036 0.0051 0.0051
Echinococcus multilocularis neurogenic locus notch protein 0.0826 0.2215 0.3825
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.003 0.0035 0.0035
Echinococcus multilocularis neurogenic locus notch protein 0.0826 0.2215 0.3825
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0024 0.5
Echinococcus multilocularis Tolloid protein 1 0.1691 0.4584 0.7917
Echinococcus multilocularis dihydrofolate reductase 0.08 0.2144 0.3702
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.003 0.0035 0.006
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Mycobacterium ulcerans hypothetical protein 0.003 0.0035 0.0055
Loa Loa (eye worm) hypothetical protein 0.0037 0.0054 0.0054
Echinococcus granulosus neurogenic locus protein delta 0.0826 0.2215 0.3825
Toxoplasma gondii EGF family domain-containing protein 0.0826 0.2215 0.2914
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Echinococcus multilocularis cGMP dependent protein kinase 1 0.003 0.0035 0.006
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.003 0.0035 0.006
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0045 0.0076 0.0131
Schistosoma mansoni slit 0.0826 0.2215 0.2215
Echinococcus multilocularis hyperpolarization activated cyclic 0.0045 0.0076 0.0131
Echinococcus granulosus delta-like protein 1 0.0826 0.2215 0.3825
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.003 0.0035 0.0039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Toxoplasma gondii microneme protein MIC4 0.0647 0.1725 0.2259
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni cpg binding protein 0.0031 0.0039 0.0039
Brugia malayi thymidylate synthase 0.1961 0.5325 0.5325
Loa Loa (eye worm) hypothetical protein 0.0045 0.0076 0.0076
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0045 0.0076 0.0131
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0035
Echinococcus granulosus fibropellin Ia 0.0826 0.2215 0.3825
Echinococcus granulosus tissue type plasminogen activator 0.2031 0.5516 0.9527
Echinococcus multilocularis slit 2 protein 0.0826 0.2215 0.3825
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0045 0.0076 0.0131
Brugia malayi Trypsin-like protease protein 5 0.0823 0.2208 0.2208
Toxoplasma gondii PAN domain-containing protein 0.2709 0.7372 0.9807
Echinococcus multilocularis neurogenic locus protein delta 0.0826 0.2215 0.3825
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.003 0.0035 0.006
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.003 0.0035 0.0035
Toxoplasma gondii PAN domain-containing protein 0.0647 0.1725 0.2259
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0035 0.0035
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0227 0.0574 0.0991
Brugia malayi Calcium binding EGF domain containing protein 0.0826 0.2215 0.2215
Onchocerca volvulus 0.0647 0.1725 0.1706
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0035 0.006
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0045 0.0076 0.0076
Schistosoma mansoni dihydrofolate reductase 0.08 0.2144 0.2144
Leishmania major hypothetical protein, conserved 0.003 0.0035 0.0015
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.003 0.0035 0.006
Schistosoma mansoni hypothetical protein 0.003 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.2031 0.5516 0.5516
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.003 0.0035 0.006
Loa Loa (eye worm) hypothetical protein 0.0647 0.1725 0.1725
Echinococcus multilocularis glycoprotein Antigen 5 0.2131 0.5791 1
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.003 0.0035 0.0033
Toxoplasma gondii subtilisin SUB12 0.0647 0.1725 0.2259
Trypanosoma brucei cAMP response protein 1, putative 0.003 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0045 0.0076 0.0076
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.003 0.0035 0.0035
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1691 0.4584 0.4584
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.003 0.0035 0.0035
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0933 0.2509 0.3307
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.1691 0.4584 0.4584
Onchocerca volvulus 0.0647 0.1725 0.1706
Loa Loa (eye worm) hypothetical protein 0.3668 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Schistosoma mansoni laminin gamma-3 chain 0.0826 0.2215 0.2215
Onchocerca volvulus 0.003 0.0035 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0035 0.0035
Leishmania major hypothetical protein, conserved 0.003 0.0035 0.0015
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0024 0.0034
Mycobacterium ulcerans hypothetical protein 0.0026 0.0024 0.0034
Schistosoma mansoni egf-like domain protein 0.1691 0.4584 0.4584
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0024 0.0034
Mycobacterium ulcerans hypothetical protein 0.0823 0.2208 0.414
Toxoplasma gondii calcium binding egf domain-containing protein 0.1691 0.4584 0.6081
Schistosoma mansoni hypothetical protein 0.0826 0.2215 0.2215
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0115 0.0107
Loa Loa (eye worm) hypothetical protein 0.0026 0.0024 0.0024
Onchocerca volvulus 0.0826 0.2215 0.2197
Loa Loa (eye worm) hypothetical protein 0.0026 0.0024 0.0024
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0024 0.0034
Echinococcus multilocularis notch 0.0826 0.2215 0.3825
Echinococcus granulosus protein jagged 1 0.0826 0.2215 0.3825
Echinococcus granulosus cGMP dependent protein kinase 1 0.003 0.0035 0.006
Loa Loa (eye worm) hypothetical protein 0.0066 0.0133 0.0133
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0024 0.0034
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.08 0.2144 0.4019
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.003 0.0035 0.006
Giardia lamblia High cysteine protein 0.0826 0.2215 1
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Echinococcus granulosus cpg binding protein 0.0033 0.0043 0.0075
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0647 0.1725 0.2259
Schistosoma mansoni notch 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0101 0.0101
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0045 0.0076 0.0131
Loa Loa (eye worm) hypothetical protein 0.0823 0.2208 0.2208
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0024 0.0034
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0024 0.0025
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0066 0.0133 0.023
Brugia malayi hypothetical protein 0.0823 0.2208 0.2208
Brugia malayi EGF-like domain containing protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Leishmania major protein kinase, putative 0.003 0.0035 0.0015
Echinococcus granulosus notch 0.0826 0.2215 0.3825
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2761 0.7516 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.0035 0.006
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0045 0.0076 0.0131
Schistosoma mansoni cercarial elastase (S01 family) 0.0823 0.2208 0.2208
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0227 0.0574 0.0574
Mycobacterium ulcerans transmembrane transport protein 0.003 0.0035 0.0055
Echinococcus granulosus dnaJ subfamily B 0.0445 0.1171 0.2022
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2761 0.7516 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.1691 0.4584 0.4584
Toxoplasma gondii hypothetical protein 0.0647 0.1725 0.2259
Trichomonas vaginalis conserved hypothetical protein 0.0933 0.2509 1
Loa Loa (eye worm) hypothetical protein 0.1691 0.4584 0.4584
Trypanosoma brucei Flagellar Member 6 0.003 0.0035 0.0033
Trypanosoma brucei protein kinase A regulatory subunit 0.003 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0826 0.2215 0.2215
Toxoplasma gondii microneme protein MIC17A 0.0647 0.1725 0.2259
Treponema pallidum catabolite gene activator 0.003 0.0035 0.5
Brugia malayi PAN domain containing protein 0.0647 0.1725 0.1725

Activities

Activity type Activity value Assay description Source Reference
Hill coefficient (binding) >= 0.9 Hill coefficient value assayed against rat beta adrenergic receptor ChEMBL. 2874227
Ki (binding) = 2 nM In vitro for binding affinity against beta adrenergic receptor in rat cortex ChEMBL. 2874227
Ki (binding) = 2 nM In vitro for binding affinity against beta adrenergic receptor in rat cerebellum ChEMBL. 2874227
Log = -0.6 Distribution coefficient value of the compound ChEMBL. 2874227

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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