Detailed information for compound 564263

Basic information

Technical information
  • TDR Targets ID: 564263
  • Name: N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodo-b enzamide
  • MW: 503.015 | Formula: C11H12I2N3O2P
  • H donors: 1 H acceptors: 2 LogP: 1.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1cc(I)ccc1I)NP(=O)(N1CC1)N1CC1
  • InChi: 1S/C11H12I2N3O2P/c12-8-1-2-10(13)9(7-8)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)
  • InChiKey: BFKKCDNAUZMDOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[bis(1-aziridinyl)phosphoryl]-2,5-diiodobenzamide
  • N-diethyleniminophosphoryl-2,5-diiodo-benzamide
  • N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide
  • diiodobenzotepa
  • 4460-32-6
  • 2,5-Diodobenzo-TEPA
  • Benzamide, N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo
  • Benzamide, N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo-
  • NCI60_001328
  • BRN 1324621
  • Benzamide, N-(bis(1-aziridinyl)phosphinyl)-2,5-diiodo-
  • Diiodbenzoteph
  • Diiodobenzotef
  • N-(Bis(1-aziridinyl)phosphinyl)-2,5-diiodobenzamide
  • N-2,5-Diiodobenzoyl-N',N',N'',N''-diethylenephosphortriamide
  • NSC 167781
  • Phosphinic amide, P,P-bis(1-aziridinyl)-2,5-diiodobenzoyl-
  • 2, 5-Diodobenzo-TEPA
  • AIDS-127519
  • AIDS127519
  • Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo-}
  • Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo} ( )
  • Diiodobenzoteph
  • Dijodbenzotef
  • N-(Di(1-aziridinyl)phosphoryl)-2,5-diiodobenzamide
  • NSC167781

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0049 0.1353
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0222 0.4439
Trypanosoma cruzi nucleoside transporter 1, putative 0.0077 0.0101 1
Echinococcus granulosus equilibrative nucleoside transporter 0.0077 0.0101 0.3149
Trypanosoma cruzi nucleobase transporter, putative 0.0077 0.0101 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0019 0.0317
Loa Loa (eye worm) hypothetical protein 0.0032 0.0014 0.0178
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0104 0.0679
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0042 0.0711
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0042 0.1168
Schistosoma mansoni chromobox protein 0.014 0.0221 0.4408
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0042 0.0711
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0019 0.0386
Leishmania major nucleoside transporter 1, putative 0.0077 0.0101 1
Trichomonas vaginalis chromobox protein, putative 0.0085 0.0115 0.0788
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0077 0.0101 0.3149
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0019 0.0528
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0013 0.0173
Plasmodium vivax SET domain protein, putative 0.0031 0.0013 0.1546
Trypanosoma brucei adenosine transporter 2, putative 0.0077 0.0101 0.006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0059 0.1056
Loa Loa (eye worm) heterochromatin protein 1 0.014 0.0221 0.595
Loa Loa (eye worm) hypothetical protein 0.0077 0.0101 0.2588
Trypanosoma brucei adenosine transporter 2, putative 0.0077 0.0101 0.006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0059 0.1734
Brugia malayi PHD-finger family protein 0.0028 0.0008 0.0222
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0042 0.1168
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0077 0.0101 0.006
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0077 0.0101 0.006
Toxoplasma gondii nucleoside transporter protein 0.0077 0.0101 0.0093
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0013 0.0173
Giardia lamblia Fructose-bisphosphate aldolase 0.0589 0.1073 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0132 0.3472
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0131 0.4177
Brugia malayi Transient-receptor-potential like protein 0.0035 0.002 0.0558
Loa Loa (eye worm) hypothetical protein 0.01 0.0144 0.3789
Trypanosoma brucei adenosine transporter 2, putative 0.0077 0.0101 0.006
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0126 0.4022
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.0302 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0085 0.0115 0.2579
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0174 0.2898
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0055 0.1583
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0174 0.2898
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0019 0.0386
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.006 0.0259
Trichomonas vaginalis set domain proteins, putative 0.0247 0.0423 0.3745
Brugia malayi Bromodomain containing protein 0.0032 0.0015 0.0402
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0131 0.4177
Schistosoma mansoni chromobox protein 0.014 0.0221 0.4408
Brugia malayi jmjC domain containing protein 0.0034 0.0019 0.0533
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0126 0.4022
Brugia malayi Pre-SET motif family protein 0.0217 0.0366 1
Brugia malayi Heterochromatin protein 1 0.014 0.0221 0.604
Schistosoma mansoni hypothetical protein 0.0035 0.0021 0.0262
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.0302 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0072 0.2172
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.0132 0.4224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0059 0.1734
Trypanosoma brucei adenosine transporter, putative 0.5287 1 1
Entamoeba histolytica nucleoside transporter, putative 0.0077 0.0101 0.076
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0152 0.2418
Trypanosoma brucei purine nucleoside transporter 0.0077 0.0101 0.006
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0077 0.0101 0.006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0059 0.1056
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.0366 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0013 0.0105
Onchocerca volvulus 0.0247 0.0423 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0055 0.1583
Trypanosoma brucei purine nucleoside transporter 0.0077 0.0101 0.006
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0033 0.0848
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0013 0.0005
Echinococcus multilocularis muscleblind protein 0.015 0.024 0.7879
Trypanosoma brucei unspecified product 0.0077 0.0101 0.006
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0042 0.0711
Loa Loa (eye worm) glutathione reductase 0.0046 0.0041 0.0918
Loa Loa (eye worm) hypothetical protein 0.0031 0.0013 0.0142
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.002 0.0418
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0152 0.2418
Onchocerca volvulus 0.0054 0.0057 0.1176
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0059 0.1616
Loa Loa (eye worm) hypothetical protein 0.015 0.024 0.6476
Brugia malayi glutathione reductase 0.0046 0.0041 0.112
Loa Loa (eye worm) hypothetical protein 0.005 0.0049 0.1156
Trypanosoma cruzi nucleobase transporter, putative 0.0077 0.0101 1
Trypanosoma brucei adenosine transporter 2 0.0077 0.0101 0.006
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0041 1
Brugia malayi hypothetical protein 0.0035 0.0021 0.0568
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0021 0.0262
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0042 0.1168
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0026 0.5594
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0059 0.1425
Trypanosoma cruzi nucleoside transporter-like, putative 0.0077 0.0101 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0589 0.1073 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.0132 0.4224
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0026 0.0172
Loa Loa (eye worm) MBCTL1 0.0053 0.0055 0.1302
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0288 0.0501 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0055 0.0964
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0232
Brugia malayi hypothetical protein 0.0077 0.0101 0.2753
Trypanosoma brucei nucleoside transporter 1, putative 0.0077 0.0101 0.006
Treponema pallidum fructose-bisphosphate aldolase 0.0589 0.1073 0.5
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0077 0.0101 0.3149
Brugia malayi Thioredoxin reductase 0.0046 0.0041 0.112
Echinococcus granulosus peregrin 0.0032 0.0015 0.0224
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Brugia malayi jmjC domain containing protein 0.0093 0.0131 0.3579
Trichomonas vaginalis chromobox protein, putative 0.014 0.0221 0.1806
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0174 0.0634
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0101 0.2588
Trichomonas vaginalis chromobox protein, putative 0.014 0.0221 0.1806
Echinococcus multilocularis muscleblind protein 1 0.015 0.024 0.7879
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.0215 0.7035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0059 0.1734
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.0132 0.2572
Loa Loa (eye worm) acetyltransferase 0.0141 0.0222 0.5992
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0055 0.1583
Giardia lamblia Hypothetical protein 0.0077 0.0101 0.0869
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0013 0.0105
Plasmodium vivax glutathione reductase, putative 0.0046 0.0041 1
Leishmania major nucleobase transporter 0.0077 0.0101 1
Onchocerca volvulus 0.0062 0.0071 0.1526
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0041 0.0918
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0029 0.0719
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0033 0.0025
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.096
Toxoplasma gondii thioredoxin reductase 0.0046 0.0041 0.0033
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0072 0.2172
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0144 0.1168
Loa Loa (eye worm) hypothetical protein 0.0079 0.0104 0.2672
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0288 0.0501 1
Loa Loa (eye worm) hypothetical protein 0.015 0.024 0.6476
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0077 0.0101 0.3149
Toxoplasma gondii nucleoside transporter protein 0.0077 0.0101 0.0093
Schistosoma mansoni equilibrative nucleoside transporter 0.0077 0.0101 0.1917
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0222 0.6082
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0026 0.0054
Schistosoma mansoni transient receptor potential channel 0.0094 0.0132 0.2572
Loa Loa (eye worm) hypothetical protein 0.0049 0.0047 0.1078
Brugia malayi mbt repeat family protein 0.0046 0.0042 0.1161
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0077 0.0101 0.2233
Loa Loa (eye worm) hypothetical protein 0.0077 0.0101 0.2588
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0077 0.0101 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Trypanosoma brucei adenosine transporter 2, putative 0.0077 0.0101 0.006
Trypanosoma brucei adenosine transporter 2, putative 0.0077 0.0101 0.006
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0055 0.1495
Echinococcus multilocularis chromobox protein 1 0.014 0.0221 0.7239
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Brugia malayi Pre-SET motif family protein 0.0031 0.0013 0.0361
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0042 0.0828
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Leishmania major nucleoside transporter 1, putative 0.0077 0.0101 1
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0042 0.096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0589 0.1073 1
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0077 0.0101 0.006
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0011 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0059 0.1056
Brugia malayi Nucleoside transporter family protein 0.0077 0.0101 0.2753
Schistosoma mansoni protein kinase 0.0077 0.0101 0.1917
Onchocerca volvulus 0.0046 0.0042 0.0828
Plasmodium falciparum thioredoxin reductase 0.0046 0.0041 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0152 0.2418
Entamoeba histolytica nucleoside transporter, putative 0.0077 0.0101 0.076
Loa Loa (eye worm) hypothetical protein 0.0035 0.002 0.0344
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0055 0.1583
Echinococcus granulosus muscleblind protein 0.015 0.024 0.7879
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0072 0.2172
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.006 0.0259
Trypanosoma brucei adenosine transporter 2 0.0077 0.0101 0.006
Trypanosoma cruzi nucleoside transporter 1, putative 0.0077 0.0101 1
Echinococcus granulosus chromobox protein 1 0.014 0.0221 0.7239
Loa Loa (eye worm) hypothetical protein 0.0062 0.0071 0.1769
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0072 0.2172
Brugia malayi chromobox protein homolog 3 0.0079 0.0104 0.2835
Brugia malayi mbt repeat family protein 0.0046 0.0042 0.1161
Echinococcus multilocularis chromobox protein 1 0.014 0.0221 0.7239
Loa Loa (eye worm) hypothetical protein 0.0077 0.0101 0.2588
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0077 0.0101 0.2233
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0077 0.0101 0.006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0054 0.0057 0.1009
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0066 0.1607
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0019 0.0235
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0041 0.1116
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0152 0.2418
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0313
Schistosoma mansoni transient receptor potential channel 0.0062 0.0072 0.1323
Schistosoma mansoni hypothetical protein 0.0283 0.0491 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Echinococcus multilocularis peregrin 0.0032 0.0015 0.0224
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0033 0.7596
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.002 0.0418
Trypanosoma cruzi nucleoside transporter-like, putative 0.0077 0.0101 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0589 0.1073 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.0152 0.2418
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0104 0.0679
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0174 0.2898
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0042 0.1168
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0013 0.0105
Echinococcus granulosus jumonji domain containing protein 0.004 0.0029 0.0719
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0222 0.7291
Loa Loa (eye worm) hypothetical protein 0.0059 0.0066 0.162
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0013 0.0173
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0019 0.0235
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0077 0.0101 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0021 0.043
Trypanosoma brucei adenosine transporter, putative 0.0077 0.0101 0.006
Brugia malayi hypothetical protein 0.0077 0.0101 0.2753
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0049 0.1156
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0079 0.0104 0.2305
Schistosoma mansoni transient receptor potential channel 0.0062 0.0072 0.1323
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0144 0.1168
Plasmodium falciparum glutathione reductase 0.0046 0.0041 1
Trypanosoma cruzi nucleobase transporter, putative 0.0077 0.0101 1
Brugia malayi Muscleblind-like protein 0.015 0.024 0.6555
Loa Loa (eye worm) hypothetical protein 0.0053 0.0055 0.1302
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0033 0.0025
Trypanosoma cruzi nucleoside transporter 1, putative 0.0077 0.0101 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0152 0.2418
Trypanosoma brucei nucleoside transporter 1, putative 0.0077 0.0101 0.006
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0288 0.0501 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0059 0.1734
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0049 0.1353
Echinococcus granulosus chromobox protein 1 0.014 0.0221 0.7239
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0077 0.0101 0.065
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0021 0.043
Entamoeba histolytica nucleoside transporter, putative 0.0077 0.0101 0.076
Trypanosoma brucei unspecified product 0.0077 0.0101 0.006
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0041 0.1116
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0095 0.1791
Trichomonas vaginalis chromobox protein, putative 0.0085 0.0115 0.0788
Leishmania major nucleobase transporter 0.0077 0.0101 1
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.0077 0.0101 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of bovine brain MAOB ChEMBL. 18834112
Activity (binding) Inhibition of bovine brain MAOA ChEMBL. 18834112
GI50 (functional) -5.296 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.218 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.963 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.806 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.622 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.572 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.552 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.366 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.298 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.224 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.133 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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 MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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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