Detailed information for compound 1445921

Basic information

Technical information
  • TDR Targets ID: 1445921
  • Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl ]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2 -enamide
  • MW: 463.531 | Formula: C19H21N5O5S2
  • H donors: 4 H acceptors: 3 LogP: 1.94 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)N=C(N)N)ccc1OC
  • InChi: 1S/C19H21N5O5S2/c1-28-15-9-3-12(11-16(15)29-2)4-10-17(25)23-19(30)22-13-5-7-14(8-6-13)31(26,27)24-18(20)21/h3-11H,1-2H3,(H4,20,21,24)(H2,22,23,25,30)/b10-4+
  • InChiKey: CIOBTCBETDSSFP-ONNFQVAWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-[(4-guanidinosulfonylphenyl)carbamothioyl]prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-[(4-guanidinosulfonylphenyl)carbamothioyl]prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-[[(4-guanidinosulfonylphenyl)amino]-thioxomethyl]prop-2-enamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-guanidinosulfonylphenyl)amino]-thioxomethyl]prop-2-enamide
  • 3-(3,4-dimethoxyphenyl)-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]acrylamide
  • (E)-3-(3,4-dimethoxyphenyl)-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]acrylamide
  • BAS 00331760
  • ST000158
  • ZINC02362668

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens amyloid beta (A4) precursor protein-binding, family A, member 1 No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, N type, alpha 1B subunit Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi hypothetical protein Get druggable targets OG5_130749 All targets in OG5_130749
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis amyloid beta A4 protein Get druggable targets OG5_130749 All targets in OG5_130749
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni amyloid beta A4 protein related Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative Get druggable targets OG5_130749 All targets in OG5_130749
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04531 amyloid beta (A4) precursor protein-binding, family A, member 1, putative Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) X11 protein Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130749 All targets in OG5_130749
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus amyloid beta A4 protein Get druggable targets OG5_130749 All targets in OG5_130749
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
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
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1051 0.2078
Schistosoma mansoni retinoid-x-receptor (RXR) 0.016 0.1653 0.3069
Echinococcus multilocularis FTZ F1 alpha 0.016 0.1653 0.3093
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0141 0.1436 0.2687
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0266 0.0704
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.1181 0.2352
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0076 0.0718 0.1342
Echinococcus multilocularis thyroid hormone receptor alpha 0.0301 0.3206 0.6002
Schistosoma mansoni hypothetical protein 0.0032 0.0234 0.0402
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Loa Loa (eye worm) hypothetical protein 0.0331 0.3545 0.9429
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0234 0.0436
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0116 0.1165 0.218
Echinococcus granulosus nuclear receptor nhr 48 0.0076 0.0718 0.1342
Onchocerca volvulus 0.0035 0.0266 0.0697
Giardia lamblia Fructose-bisphosphate aldolase 0.0916 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0395 0.1019
Echinococcus multilocularis geminin 0.0365 0.3914 0.7329
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0369 0.0942
Brugia malayi Nuclear hormone receptor E75 0.0076 0.0718 0.1563
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.152 0.4448
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1051 0.2078
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0013 0.0029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0994 0.2163
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0369 0.0942
Echinococcus granulosus segment polarity protein dishevelled 0.0012 0.0021 0.0036
Brugia malayi Nuclear hormone receptor E75 0.0076 0.0718 0.1563
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0395 0.1047
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.006 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.152 0.4448
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.1165 0.218
Leishmania major mitochondrial DNA polymerase beta 0.0313 0.3342 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0116 0.1165 0.2152
Schistosoma mansoni hypothetical protein 0.0365 0.3914 0.7319
Schistosoma mansoni nuclear receptor nhr-48 0.0076 0.0718 0.1311
Schistosoma mansoni hypothetical protein 0.0032 0.0234 0.0402
Brugia malayi hypothetical protein 0.0085 0.0818 0.1781
Brugia malayi nuclear receptor NHR-88 0.0076 0.0718 0.1563
Brugia malayi Nuclear hormone receptor family member nhr-25 0.016 0.1653 0.3598
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0141 0.1436 0.2687
Onchocerca volvulus 0.016 0.1653 0.4632
Echinococcus multilocularis segment polarity protein dishevelled 0.0012 0.0021 0.0036
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.534 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0076 0.0718 0.1563
Loa Loa (eye worm) hypothetical protein 0.0101 0.0994 0.264
Brugia malayi hypothetical protein 0.0076 0.0718 0.1563
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0476 0.1266
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.016 0.1653 0.4395
Schistosoma mansoni zinc finger protein 0.0076 0.0718 0.1311
Schistosoma mansoni nuclear hormone receptor 0.016 0.1653 0.3069
Brugia malayi hypothetical protein 0.008 0.0764 0.1662
Echinococcus multilocularis sodium channel protein 0.0049 0.0427 0.0797
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0351 0.3759 1
Schistosoma mansoni nuclear receptor 0.0076 0.0718 0.1311
Brugia malayi Nuclear hormone receptor family member nhr-19 0.016 0.1653 0.3598
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0331 0.3545 1
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0718 0.1342
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.016 0.1653 0.3093
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0116 0.1165 0.2536
Loa Loa (eye worm) nuclear receptor NHR-67 0.0076 0.0718 0.1906
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0076 0.0718 0.1906
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0076 0.0718 0.1906
Brugia malayi DIX domain containing protein 0.0012 0.0021 0.0045
Brugia malayi nuclear receptor NHR-67 0.0076 0.0718 0.1563
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.006 0.0131
Loa Loa (eye worm) hypothetical protein 0.0116 0.1165 0.3097
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.016 0.1653 0.3598
Brugia malayi Nuclear hormone receptor family member nhr-3 0.016 0.1653 0.3598
Schistosoma mansoni retinoic acid receptor RXR 0.016 0.1653 0.3069
Toxoplasma gondii transporter, cation channel family protein 0.0024 0.0151 0.1661
Brugia malayi ecdysteroid receptor 0.0331 0.3545 0.7715
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0116 0.1165 0.218
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.1165 0.218
Schistosoma mansoni voltage-gated cation channel 0.0116 0.1165 0.2152
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 0.3342 1
Schistosoma mansoni thyroid hormone receptor 0.0301 0.3206 0.5988
Loa Loa (eye worm) glutathione reductase 0.0046 0.0395 0.1047
Schistosoma mansoni hypothetical protein 0.0069 0.0642 0.1168
Schistosoma mansoni hypothetical protein 0.0141 0.1436 0.266
Brugia malayi photoreceptor-specific nuclear receptor 0.016 0.1653 0.3598
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0313
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0234 0.051
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0313 0.3342 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.1165 0.218
Echinococcus multilocularis segment polarity protein dishevelled 0.0012 0.0021 0.0036
Brugia malayi steroid hormone receptor 0.016 0.1653 0.3598
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.0718 0.1979
Brugia malayi Nuclear hormone receptor family member nhr-41 0.016 0.1653 0.3598
Toxoplasma gondii thioredoxin reductase 0.0046 0.0395 0.6097
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Schistosoma mansoni hypothetical protein 0.0032 0.0234 0.0402
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0234 0.062
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.016 0.1653 0.3069
Echinococcus granulosus retinoic acid receptor rxr beta a 0.016 0.1653 0.3093
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0085 0.0818 0.1499
Schistosoma mansoni RAR-like nuclear receptor 0.016 0.1653 0.3069
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Brugia malayi CXXC zinc finger family protein 0.0035 0.0266 0.0579
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0718 0.1311
Mycobacterium ulcerans hypothetical protein 0.0165 0.1705 0.3452
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0994 0.264
Echinococcus granulosus cpg binding protein 0.0037 0.0288 0.0537
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.016 0.1653 0.4632
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0642 0.1398
Schistosoma mansoni thyroid hormone receptor 0.0301 0.3206 0.5988
Onchocerca volvulus 0.0076 0.0718 0.1979
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.006 0.5
Echinococcus granulosus GPCR family 2 0.0032 0.0234 0.0436
Schistosoma mansoni steroid hormone receptor ad4bp 0.016 0.1653 0.3069
Brugia malayi nuclear hormone receptor 0.0076 0.0718 0.1563
Loa Loa (eye worm) DR-78 0.0076 0.0718 0.1906
Loa Loa (eye worm) hypothetical protein 0.0085 0.0818 0.2173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.016 0.1653 0.4395
Brugia malayi hypothetical protein 0.0076 0.0718 0.1563
Brugia malayi orphan nuclear receptor NR2E1 0.0076 0.0718 0.1563
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0313
Echinococcus multilocularis ecdysone induced protein 78C 0.016 0.1653 0.3093
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0085 0.0818 0.1529
Brugia malayi glutathione reductase 0.0046 0.0395 0.0859
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.016 0.1653 0.3598
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0447 0.4825 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1051 0.2078
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0718 0.1311
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0085 0.0818 0.1499
Brugia malayi Steroid receptor seven-up type 2 0.016 0.1653 0.3598
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0013 0.0029
Onchocerca volvulus 0.0076 0.0718 0.1979
Echinococcus granulosus voltage dependent calcium channel 0.0024 0.0151 0.0281
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.016 0.1653 0.3093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Schistosoma mansoni hypothetical protein 0.0365 0.3914 0.7319
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.016 0.1653 0.3093
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.0718 0.1342
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.016 0.1653 0.3093
Echinococcus multilocularis cpg binding protein 0.0037 0.0288 0.0537
Loa Loa (eye worm) X11 protein 0.0083 0.0799 0.2123
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0071 0.0663 0.1836
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.016 0.1653 0.3093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.016 0.1653 0.4395
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0116 0.1165 0.218
Echinococcus multilocularis GPCR, family 2 0.0032 0.0234 0.0436
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0076 0.0718 0.1311
Brugia malayi ecdysone receptor 0.0076 0.0718 0.1563
Loa Loa (eye worm) voltage-dependent calcium channel 0.0024 0.0151 0.0399
Loa Loa (eye worm) hypothetical protein 0.0342 0.3659 0.9734
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1051 0.2078
Plasmodium vivax glutathione reductase, putative 0.0046 0.0395 1
Mycobacterium tuberculosis Probable reductase 0.0106 0.1051 0.2078
Brugia malayi tailless protein 0.0076 0.0718 0.1563
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.016 0.1653 0.3069
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0395 0.0737
Schistosoma mansoni nuclear receptor 0.0076 0.0718 0.1311
Loa Loa (eye worm) hypothetical protein 0.0085 0.0818 0.2173
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.1181 0.2352
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Schistosoma mansoni Tr4/Tr2 (homologue) 0.016 0.1653 0.3069
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0395 1
Loa Loa (eye worm) steroid hormone receptor 0.016 0.1653 0.4395
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.0051
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.1165 0.218
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0395 0.0702
Brugia malayi N-terminal motif family protein 0.0187 0.1951 0.4246
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0395 0.0737
Brugia malayi Nuclear hormone receptor family member nhr-49 0.016 0.1653 0.3598
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.1165 0.218
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.1181 0.0345
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0234 0.0436
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0049 0.0427 0.0797
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Loa Loa (eye worm) hypothetical protein 0.0187 0.1951 0.5187
Schistosoma mansoni amyloid beta A4 protein related 0.0083 0.0799 0.1464
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.0718 0.1979
Echinococcus multilocularis nuclear receptor nhr 48 0.0076 0.0718 0.1342
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 0.3342 1
Schistosoma mansoni cpg binding protein 0.0035 0.0266 0.0462
Brugia malayi conserved hypotetical protein 0.0076 0.0718 0.1563
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0234 0.0436
Loa Loa (eye worm) hypothetical protein 0.0032 0.0234 0.062
Brugia malayi nuclear receptor RXR 0.0085 0.0818 0.1781
Schistosoma mansoni cpg binding protein 0.0037 0.0288 0.0503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.016 0.1653 0.4395
Schistosoma mansoni coup transcription factor 0.016 0.1653 0.3069
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0074 0.0703 0.1529
Brugia malayi Nuclear hormone receptor-like 1 0.0351 0.3759 0.8183
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0076 0.0718 0.1311
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.016 0.1653 0.3093
Plasmodium falciparum glutathione reductase 0.0046 0.0395 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.016 0.1653 0.3093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.016 0.1653 0.4395
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0369 0.0942
Echinococcus granulosus amyloid beta A4 protein 0.0083 0.0799 0.1494
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.016 0.1653 0.3069
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.1705 0.3452
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.006 0.0075
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.006 0.5
Brugia malayi nuclear receptor RXR 0.0076 0.0718 0.1563
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0447 0.4825 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.016 0.1653 0.3093
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0234 0.051
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.1165 0.218
Loa Loa (eye worm) hypothetical protein 0.0085 0.0818 0.2173
Loa Loa (eye worm) hypothetical protein 0.008 0.0764 0.2028
Loa Loa (eye worm) hypothetical protein 0.016 0.1653 0.4395
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.0718 0.1342
Echinococcus granulosus dnaJ subfamily B 0.0494 0.534 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0916 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0426 0.4594 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.0718 0.1342
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0696 0.1269
Brugia malayi nuclear hormone receptor family member nhr-6 0.0076 0.0718 0.1563
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0012 0.0021 0.0045
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.0718 0.1342
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.006 0.011
Loa Loa (eye worm) hypothetical protein 0.0085 0.0818 0.2173
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.016 0.1653 0.4632
Echinococcus multilocularis amyloid beta A4 protein 0.0083 0.0799 0.1494
Brugia malayi hypothetical protein 0.0085 0.0818 0.1781
Echinococcus granulosus thyroid hormone receptor alpha 0.0076 0.0718 0.1342
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0234 0.0436
Toxoplasma gondii hypothetical protein 0.0021 0.0119 0.107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.016 0.1653 0.4395
Treponema pallidum fructose-bisphosphate aldolase 0.0916 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.016 0.1653 0.3598
Brugia malayi Nuclear hormone receptor family member nhr-1 0.016 0.1653 0.3598
Toxoplasma gondii hypothetical protein 0.005 0.0441 0.6938
Echinococcus granulosus ecdysone induced protein 78C 0.016 0.1653 0.3093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.016 0.1653 0.3598
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0369 0.0942
Leishmania major trypanothione reductase 0.0046 0.0395 0.1019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.016 0.1653 0.3069
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Echinococcus granulosus nuclear receptor 2DBD gamma 0.016 0.1653 0.3093
Loa Loa (eye worm) calcium channel 0.0116 0.1165 0.3097
Loa Loa (eye worm) DIX domain-containing protein 0.0012 0.0021 0.0051
Brugia malayi nuclear receptor NHR-88 0.016 0.1653 0.3598
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.1181 0.2352
Schistosoma mansoni cpg binding protein 0.0037 0.0288 0.0503
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.006 0.011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.016 0.1653 0.3598
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0116 0.1165 0.2152
Brugia malayi Nuclear hormone receptor family member nhr-14 0.016 0.1653 0.3598
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0994 0.2163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.016 0.1653 0.4395
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0071 0.0663 0.1836
Brugia malayi Thioredoxin reductase 0.0046 0.0395 0.0859
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0447 0.4825 1
Brugia malayi nuclear hormone receptor 0.016 0.1653 0.3598
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.016 0.1653 0.3093
Brugia malayi Nuclear hormone receptor family member nhr-40 0.016 0.1653 0.3598
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0076 0.0718 0.1342
Loa Loa (eye worm) hypothetical protein 0.0085 0.0818 0.2173
Loa Loa (eye worm) hypothetical protein 0.0076 0.0718 0.1906
Echinococcus granulosus FTZ F1 alpha 0.016 0.1653 0.3093
Loa Loa (eye worm) hypothetical protein 0.0069 0.0642 0.1705
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0916 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.016 0.1653 0.3093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0718 0.1342
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.1951 0.5477
Echinococcus granulosus nuclear receptor 2DBD gamma 0.016 0.1653 0.3093
Echinococcus granulosus segment polarity protein dishevelled 0.0012 0.0021 0.0036
Echinococcus granulosus voltage dependent calcium channel 0.0116 0.1165 0.218
Echinococcus granulosus geminin 0.0365 0.3914 0.7329
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.152 0.4448
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1051 0.2078
Schistosoma mansoni hypothetical protein 0.0494 0.534 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0076 0.0718 0.1342
Plasmodium falciparum thioredoxin reductase 0.0046 0.0395 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0085 0.0818 0.1529
Loa Loa (eye worm) hypothetical protein 0.0024 0.0151 0.0399
Schistosoma mansoni hypothetical protein 0.0032 0.0234 0.0402
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0076 0.0718 0.1563
Trypanosoma brucei trypanothione reductase 0.0046 0.0395 0.1019
Brugia malayi Nuclear hormone receptor-like 1 0.0351 0.3759 0.8183

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.65 um PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay. Confirmatory Screen for inhibitors of association between Mint1-PDZ domains and N-type Ca2+ channel carboxyl-terminal peptide (NC peptide). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 50 uM PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay. Confirmatory Screen for inhibitors of association between Mint1-PDZ domains and N-type Ca2+ channel carboxyl-terminal peptide (NC peptide). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2093, AID2489, AID2496, AID434980] ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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