Detailed information for compound 1554728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 256.727 | Formula: C16H13ClO
  • H donors: 0 H acceptors: 1 LogP: 4.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)C=Cc1cccc(c1)C
  • InChi: 1S/C16H13ClO/c1-12-3-2-4-13(11-12)5-10-16(18)14-6-8-15(17)9-7-14/h2-11H,1H3
  • InChiKey: GTYAXENHVWQUET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0042 0.0042
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0012 0.0137
Trypanosoma brucei trypanothione reductase 0.0099 0.0097 0.0097
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0112 0.0803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0012 0.0012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0126 0.0132 0.0129
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0225 0.0262 0.284
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Entamoeba histolytica hypothetical protein 0.0151 0.0165 1
Entamoeba histolytica hypothetical protein 0.0048 0.003 0.0765
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0084 0.0078 0.0078
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0012 0.0012
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0668 0.0842 0.0842
Schistosoma mansoni hypothetical protein 0.063 0.0792 0.0788
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0045 0.0032
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.0112 0.0109
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0012 0.0008
Schistosoma mansoni hypothetical protein 0.0443 0.0548 0.0544
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Mycobacterium tuberculosis Conserved protein 0.0111 0.0112 0.1136
Brugia malayi F/Y-rich N-terminus family protein 0.0033 0.0011 0.0011
Brugia malayi hypothetical protein 0.0051 0.0034 0.0034
Brugia malayi beta-lactamase 0.0111 0.0112 0.0112
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0012
Echinococcus multilocularis 0.0051 0.0034 0.003
Echinococcus granulosus beta LACTamase domain containing family member 0.0111 0.0112 0.0109
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0009
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.025 0.0295 0.3214
Mycobacterium tuberculosis Conserved protein 0.0111 0.0112 0.1136
Mycobacterium ulcerans dehydrogenase 0.0051 0.0034 0.0372
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Brugia malayi nuclear hormone receptor 0.0034 0.0012 0.0012
Mycobacterium tuberculosis Possible oxidoreductase 0.0051 0.0034 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0019 0.021
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0034 0.0012 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0012 0.0008
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0119 0.0124 0.0124
Echinococcus granulosus fructose 16 bisphosphatase 1 0.7664 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0084 0.0078 0.0074
Schistosoma mansoni hypothetical protein 0.0181 0.0205 0.0201
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0012 0.0008
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0043 0.0024 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0061 0.0058
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0012 0.0012
Chlamydia trachomatis protoporphyrinogen oxidase 0.0051 0.0034 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0151 0.0165 0.0162
Echinococcus granulosus dnaJ subfamily B 0.0443 0.0548 0.0544
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0012 0.0008
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.063 0.0792 0.0792
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0225 0.0262 0.8742
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0051 0.0034 0.0372
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.7664 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0266 0.0315 0.0315
Schistosoma mansoni coup transcription factor 0.0034 0.0012 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0471 0.0584 0.058
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0012 0.0012
Brugia malayi CXXC zinc finger family protein 0.0093 0.0089 0.0089
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0009
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.0112 0.0112
Mycobacterium tuberculosis Probable dehydrogenase 0.0225 0.0262 0.284
Brugia malayi Importin beta-1 subunit 0.0059 0.0045 0.0045
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0119 0.0124 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Onchocerca volvulus 0.0051 0.0034 0.0176
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0094 0.0091 0.0091
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Schistosoma mansoni hypothetical protein 0.0084 0.0078 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0012 0.0008
Echinococcus granulosus dna polymerase eta 0.0039 0.0019 0.0015
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0051 0.0034 0.1777
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Leishmania major DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Leishmania major hypothetical protein, conserved 0.0111 0.0112 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0012 0.0012
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0051 0.0034 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0012 0.0012
Brugia malayi RNA, U transporter 1 0.0168 0.0187 0.0187
Loa Loa (eye worm) CXXC zinc finger family protein 0.0093 0.0089 0.0089
Echinococcus multilocularis beta LACTamase domain containing family member 0.0111 0.0112 0.0109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0012 0.0008
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.285 0.3698 0.3691
Schistosoma mansoni hypothetical protein 0.0151 0.0165 0.0162
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0111 0.0112 0.0112
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0001 0.0001
Brugia malayi beta-lactamase family protein 0.0111 0.0112 0.0112
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.0112 0.0803
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0012 0.0008
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0012 0.0008
Plasmodium falciparum importin beta, putative 0.0059 0.0045 0.2919
Loa Loa (eye worm) beta-lactamase 0.0111 0.0112 0.0112
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0034 0.0034
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0111 0.0112 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0094 0.0091 0.0091
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.7664 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0012 0.0012
Trichomonas vaginalis set domain proteins, putative 0.0985 0.1257 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0012 0.0008
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0471 0.0584 0.058
Schistosoma mansoni hypothetical protein 0.1056 0.135 0.1346
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0019 0.021
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0045 0.0041
Toxoplasma gondii exonuclease III APE 0.0119 0.0124 0.0111
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0056 0.0041 0.0029
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.7664 1 1
Echinococcus granulosus cpg binding protein 0.0098 0.0096 0.0092
Loa Loa (eye worm) hypothetical protein 0.0059 0.0045 0.0045
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0019 0.0019
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0012 0.0008
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0112 0.0803
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0045 0.0045
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0033 0.0011 0.0007
Leishmania major importin beta-1 subunit, putative 0.0048 0.003 0.003
Trypanosoma cruzi trypanothione reductase, putative 0.0099 0.0097 0.0097
Schistosoma mansoni ran 0.0043 0.0024 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0126 0.0132 0.0129
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0119 0.0124 0.012
Trypanosoma brucei unspecified product 0.0027 0.0003 0.0003
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0051 0.0034 0.192
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0019 0.0019
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0034 0.003
Schistosoma mansoni hypothetical protein 0.0084 0.0078 0.0074
Brugia malayi RNA binding protein 0.0072 0.0061 0.0061
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.003 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0012 0.0012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0012 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0012 0.0012
Loa Loa (eye worm) thioredoxin reductase 0.0099 0.0097 0.0097
Onchocerca volvulus 0.0985 0.1257 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0126 0.0132 0.0129
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0119 0.0124 0.0124
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0012 0.0012
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0119 0.0124 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0801 0.1016 0.1016
Echinococcus multilocularis dnaJ subfamily B 0.0443 0.0548 0.0544
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0012 0.0008
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.003 0.0143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0266 0.0315 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0012 0.0012
Trichomonas vaginalis ap endonuclease, putative 0.0119 0.0124 0.0893
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0012 0.0012
Entamoeba histolytica Ran family GTPase 0.0043 0.0024 0.037
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0111 0.0112 0.1136
Loa Loa (eye worm) hypothetical protein 0.0126 0.0132 0.0132
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0137
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0034 0.003
Mycobacterium tuberculosis Probable esterase LipL 0.0111 0.0112 0.1136
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0706 0.0892 1
Schistosoma mansoni ap endonuclease 0.0119 0.0124 0.012
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0003 0.0003
Mycobacterium ulcerans monoamine oxidase 0.0051 0.0034 0.0372
Toxoplasma gondii hypothetical protein 0.0108 0.0109 0.0096
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0012 0.0008
Trichomonas vaginalis ran, putative 0.0043 0.0024 0.0097
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0084 0.0078 0.0074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Mycobacterium tuberculosis Conserved protein 0.0111 0.0112 0.1136
Mycobacterium tuberculosis Probable hydrolase 0.0111 0.0112 0.1136
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0316 0.0382 0.0382
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.7664 1 1
Onchocerca volvulus 0.0111 0.0112 0.0808
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0119 0.0124 0.012
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0019 0.0019
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0012 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0012 0.0012
Entamoeba histolytica hypothetical protein 0.0151 0.0165 1
Brugia malayi beta-lactamase family protein 0.0111 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Plasmodium falciparum protoporphyrinogen oxidase 0.0051 0.0034 0.192
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0012 0.0008
Mycobacterium tuberculosis Probable lipase LipD 0.0111 0.0112 0.1136
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.0097 0.0093
Leishmania major GTP-binding protein, putative 0.0043 0.0024 0.0024
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0019 0.0019
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0119 0.0124 0.7141
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0119 0.0124 0.0124
Trichomonas vaginalis ap endonuclease, putative 0.0119 0.0124 0.0893
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0.0034 0.192
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0225 0.0262 0.284
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0225 0.0262 0.284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0471 0.0584 0.058
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Mycobacterium tuberculosis Probable reductase 0.0225 0.0262 0.284
Echinococcus granulosus dna polymerase kappa 0.0039 0.0019 0.0015
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0051 0.0034 0.1777
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0119 0.0124 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.0906 1
Leishmania major mitochondrial DNA polymerase beta 0.0668 0.0842 0.0842
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0061 0.0058
Echinococcus multilocularis GPCR, family 2 0.0084 0.0078 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0126 0.0132 0.0129
Echinococcus multilocularis protoporphyrinogen oxidase 0.0051 0.0034 0.003
Toxoplasma gondii ABC1 family protein 0.0111 0.0112 0.01
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Mycobacterium ulcerans esterase/lipase LipP 0.0111 0.0112 0.124
Trypanosoma brucei unspecified product 0.0027 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0012 0.0008
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0034 0.0034
Schistosoma mansoni transcription factor LCR-F1 0.0151 0.0165 0.0162
Brugia malayi Pre-SET motif family protein 0.0126 0.0132 0.0132
Entamoeba histolytica hypothetical protein 0.0151 0.0165 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Mycobacterium leprae conserved hypothetical protein 0.0111 0.0112 0.3007
Plasmodium falciparum thioredoxin reductase 0.0099 0.0097 0.7594
Trypanosoma brucei fructose-1,6-bisphosphatase 0.7664 1 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0084 0.0078 0.0074
Echinococcus multilocularis cpg binding protein 0.0098 0.0096 0.0092
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Giardia lamblia DINP protein human, muc B family 0.0039 0.0019 0.0597
Toxoplasma gondii fructose-bisphospatase I 0.285 0.3698 0.3691
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0012 0.0008
Loa Loa (eye worm) hypothetical protein 0.0039 0.0019 0.0019
Leishmania major trypanothione reductase 0.0099 0.0097 0.0097
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.025 0.0295 0.3214
Plasmodium falciparum glutathione reductase 0.0099 0.0097 0.7594
Mycobacterium ulcerans lipase LipD 0.0111 0.0112 0.124
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.285 0.3698 0.3698
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0012 0.0012
Brugia malayi Pre-SET motif family protein 0.0866 0.1101 0.1101
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0111 0.0112 0.124
Loa Loa (eye worm) hypothetical protein 0.0084 0.0078 0.0078
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0012 0.0008
Onchocerca volvulus Glucosylceramidase homolog 0.0525 0.0655 0.5166
Trypanosoma brucei hypothetical protein, conserved 0.0111 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0471 0.0584 0.058
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0012 0.0012
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0119 0.0124 0.1363
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0012 0.0012
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.025 0.0295 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0051 0.0034 0.0034
Brugia malayi SWIRM domain containing protein 0.0051 0.0034 0.0034
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0012 0.0012
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0012 0.0008
Brugia malayi latrophilin 2 splice variant baaae 0.0181 0.0205 0.0205
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0119 0.0124 0.9257
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Brugia malayi Cytochrome P450 family protein 0.0056 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0084 0.0078 0.0074
Echinococcus granulosus histone lysine methyltransferase setb 0.0126 0.0132 0.0129
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0019 0.0015
Treponema pallidum exodeoxyribonuclease (exoA) 0.0119 0.0124 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0012 0.0008
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0126 0.0132 0.0129
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0084 0.0078 0.0074
Leishmania major UDP-galactopyranose mutase 0.0051 0.0034 0.0034
Plasmodium vivax glutathione reductase, putative 0.0099 0.0097 0.703
Plasmodium vivax hypothetical protein, conserved 0.0111 0.0112 0.8324
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0043 0.0024 0.0024
Trichomonas vaginalis importin beta-1, putative 0.0048 0.003 0.0143
Schistosoma mansoni cpg binding protein 0.0098 0.0096 0.0092
Loa Loa (eye worm) histone methyltransferase 0.0033 0.0011 0.0011
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Leishmania major 0.7664 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0019 0.0019
Entamoeba histolytica hypothetical protein 0.0151 0.0165 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0019 0.0075
Onchocerca volvulus 0.0111 0.0112 0.0808
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.0112 0.0112
Trichomonas vaginalis glucosylceramidase, putative 0.0554 0.0692 0.5461
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.3392 0.4408 0.4406
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.0034 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0012 0.0012
Schistosoma mansoni amine oxidase 0.0051 0.0034 0.003
Plasmodium vivax importin-beta 2, putative 0.0059 0.0045 0.2702
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0034 0.0012 0.0012
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0061 0.0061
Mycobacterium tuberculosis Probable oxidoreductase 0.025 0.0295 0.3214
Brugia malayi hypothetical protein 0.0151 0.0165 0.0165
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0009
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Mycobacterium ulcerans hypothetical protein 0.0352 0.0428 0.4725
Echinococcus granulosus GPCR family 2 0.0084 0.0078 0.0074
Trichomonas vaginalis glucosylceramidase, putative 0.0554 0.0692 0.5461
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0012 0.0012
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0043 0.0024 0.1085
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0024 0.0024
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0668 0.0842 0.0842
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0316 0.0382 0.0382
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0114 0.0117 0.0117
Brugia malayi steroid hormone receptor 0.0034 0.0012 0.0012
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.285 0.3698 0.3698
Toxoplasma gondii thioredoxin reductase 0.0099 0.0097 0.0085
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.003 0.003
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0119 0.0124 0.012
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0033 0.0011 0.0007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0866 0.1101 0.1101
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0126 0.0132 0.012
Schistosoma mansoni cpg binding protein 0.0093 0.0089 0.0086
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0043 0.0024 0.1004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0061 0.0061
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0019 0.0075
Schistosoma mansoni amine oxidase 0.0051 0.0034 0.003
Onchocerca volvulus 0.0111 0.0112 0.0808
Mycobacterium ulcerans oxidoreductase 0.0051 0.0034 0.0372
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0012 0.0012
Loa Loa (eye worm) RNA binding protein 0.0072 0.0061 0.0061
Schistosoma mansoni DNA polymerase eta 0.0039 0.0019 0.0015
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0012 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.0801 0.1016 0.8059
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0012 0.0008
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0043 0.0024 0.0012
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0225 0.0262 0.284
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0019 0.0053
Echinococcus granulosus tar DNA binding protein 0.0072 0.0061 0.0058
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0012 0.0008
Echinococcus multilocularis geminin 0.1056 0.135 0.1346
Mycobacterium tuberculosis Conserved hypothetical protein 0.0352 0.0428 0.4727
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0012 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0012 0.0012
Schistosoma mansoni cpg binding protein 0.0098 0.0096 0.0092
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.0112 0.0803
Brugia malayi glutathione reductase 0.0099 0.0097 0.0097
Toxoplasma gondii histone lysine methyltransferase SET1 0.0181 0.0204 0.0192
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0094 0.0091 0.0091
Loa Loa (eye worm) latrophilin receptor protein 2 0.0084 0.0078 0.0078
Schistosoma mansoni fructose-16-bisphosphatase-related 0.7664 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0471 0.0584 0.058
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0012 0.0012
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0034 0.0012 0.0012
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0012 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0003 0.0003
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0012 0.0008
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0034 0.0012 0.0012
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0019 0.0053
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0012 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0061 0.0058
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0668 0.0842 0.0842
Schistosoma mansoni ap endonuclease 0.0119 0.0124 0.012
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0043 0.0024 0.0024
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0019 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0012 0.0012
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0012 0.0008
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0126 0.0132 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0061 0.0058
Trichomonas vaginalis glucosylceramidase, putative 0.0525 0.0655 0.5164
Brugia malayi exodeoxyribonuclease III family protein 0.0119 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0019 0.0019
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0019 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0061 0.0058
Loa Loa (eye worm) hypothetical protein 0.0111 0.0112 0.0112
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.084 0.9409
Mycobacterium ulcerans beta-lactamase 0.0111 0.0112 0.124
Onchocerca volvulus 0.0093 0.0089 0.0623
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0471 0.0584 0.058
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0012 0.0012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0012 0.0008
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0045 0.0045
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0119 0.0124 0.0124
Mycobacterium leprae Probable lipase LipE 0.0111 0.0112 0.3007
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0001 0.0001
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0099 0.0097 0.0959
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.0112 0.0803
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0119 0.0124 0.1263
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0012 0.0008
Brugia malayi TAR-binding protein 0.0072 0.0061 0.0061
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0024 0.0024
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0019 0.0015
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0019 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0061 0.0058
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0151 0.0165 0.0162
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0051 0.0034 0.003
Echinococcus multilocularis dna polymerase eta 0.0039 0.0019 0.0015
Loa Loa (eye worm) hypothetical protein 0.0181 0.0205 0.0205
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0043 0.0024 0.1085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0266 0.0315 0.0315
Echinococcus granulosus importin subunit beta 1 0.0059 0.0045 0.0041
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0043 0.0024 0.0024
Mycobacterium ulcerans hypothetical protein 0.0111 0.0112 0.124
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0316 0.0382 0.0382
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0471 0.0584 0.058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0012 0.0012
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Plasmodium vivax SET domain protein, putative 0.0126 0.0132 1
Toxoplasma gondii histone lysine-specific demethylase 0.0051 0.0034 0.0021
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0034 0.1777
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0111 0.0112 0.1136
Echinococcus granulosus geminin 0.1056 0.135 0.1346
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0012 0.0012
Echinococcus granulosus snurportin 1 0.063 0.0792 0.0788
Brugia malayi ecdysteroid receptor 0.0034 0.0012 0.0012
Trichomonas vaginalis esterase, putative 0.0111 0.0112 0.0803
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0119 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0471 0.0584 0.0584
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0019 0.0015
Echinococcus granulosus GTP binding nuclear protein Ran 0.0043 0.0024 0.0021
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0012 0.0137
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0084 0.0078 0.0074
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0012 0.0008
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.285 0.3698 0.3698
Brugia malayi Thioredoxin reductase 0.0099 0.0097 0.0097
Mycobacterium tuberculosis Probable lipase LipE 0.0111 0.0112 0.1136
Echinococcus multilocularis snurportin 1 0.063 0.0792 0.0788
Schistosoma mansoni hypothetical protein 0.1056 0.135 0.1346
Toxoplasma gondii fructose-bisphospatase II 0.7664 1 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0094 0.0091 0.0091
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.0906 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Plasmodium vivax thioredoxin reductase, putative 0.0099 0.0097 0.703
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.0097 0.0093
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0111 0.0112 0.1136
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0034 0.1777
Loa Loa (eye worm) hypothetical protein 0.0051 0.0034 0.0034
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0051 0.0034 0.003
Leishmania major DNA polymerase eta, putative 0.0039 0.0019 0.0019
Brugia malayi nuclear receptor NHR-88 0.0034 0.0012 0.0012
Trypanosoma brucei unspecified product 0.0039 0.0019 0.0019
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0202 0.0232 0.0228
Schistosoma mansoni importin beta-1 0.0059 0.0045 0.0041
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0471 0.0584 0.0584
Brugia malayi Latrophilin receptor protein 2 0.0084 0.0078 0.0078
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.0112 0.0109
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0019 0.0015
Schistosoma mansoni ran 0.0043 0.0024 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0019 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0061 0.0061
Onchocerca volvulus 0.0126 0.0132 0.0969
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0019 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0012 0.0012
Loa Loa (eye worm) glutathione reductase 0.0099 0.0097 0.0097
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0801 0.1016 0.1016

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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