Detailed information for compound 1426355

Basic information

Technical information
  • TDR Targets ID: 1426355
  • Name: N-(2,3-dimethylphenyl)-3-[(2-fluorophenyl)met hyl]-4-oxospiro[1,3-benzoxazine-2,4'-piperidi ne]-1'-carboxamide
  • MW: 473.539 | Formula: C28H28FN3O3
  • H donors: 1 H acceptors: 2 LogP: 4.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F)Nc1cccc(c1C)C
  • InChi: 1S/C28H28FN3O3/c1-19-8-7-12-24(20(19)2)30-27(34)31-16-14-28(15-17-31)32(18-21-9-3-5-11-23(21)29)26(33)22-10-4-6-13-25(22)35-28/h3-13H,14-18H2,1-2H3,(H,30,34)
  • InChiKey: HSSRSYIXYCYBAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
  • N-(2,3-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-4-oxo-1'-spiro[1,3-benzoxazine-2,4'-piperidine]carboxamide
  • N-(2,3-dimethylphenyl)-3-(2-fluorobenzyl)-4-keto-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
  • C794-1621
  • NCGC00113515-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Brugia malayi MH2 domain containing protein 0.0742 0.5014 0.4992
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0078 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0078 0.0442 0.059
Echinococcus granulosus smad 0.0051 0.0252 0.0396
Echinococcus granulosus tumor protein p63 0.0408 0.2713 0.5081
Echinococcus granulosus Pleckstrin G protein interacting region 0.0046 0.0223 0.0342
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0203 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0059 0.0059
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.007 0.038
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0044 0.0233
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.002 0.0044 0.0233
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0131 0.0131
Brugia malayi hypothetical protein 0.0043 0.0203 0.016
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.002 0.0044 0.5
Mycobacterium ulcerans hypothetical protein 0.002 0.0044 0.142
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0464 0.3098 0.5814
Mycobacterium ulcerans hypothetical protein 0.002 0.0044 0.142
Brugia malayi beta-lactamase family protein 0.0043 0.0203 0.016
Brugia malayi MH2 domain containing protein 0.0051 0.0252 0.0209
Mycobacterium ulcerans beta-lactamase 0.0043 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.1002 0.6805 0.6805
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0203 0.3992
Trypanosoma cruzi hypothetical protein 0.0033 0.0131 0.22
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0086 0.3723
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0161 0.7739
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0078 0.0442 0.0759
Trypanosoma cruzi hypothetical protein 0.0033 0.0131 0.22
Echinococcus granulosus TGF beta signal transducer SmadC 0.0051 0.0252 0.0396
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.002 0.0044 0.0233
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0203 0.111
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0464 0.3098 0.5814
Onchocerca volvulus 0.0043 0.0203 0.025
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0033 0.0131 0.0167
Loa Loa (eye worm) TAR-binding protein 0.0783 0.5297 0.5297
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0203 1
Onchocerca volvulus 0.006 0.0315 0.0426
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0203 0.111
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0131 0.0131
Onchocerca volvulus 0.0043 0.0203 0.025
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0059 0.0059
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0203 0.111
Brugia malayi hypothetical protein 0.0046 0.0223 0.018
Schistosoma mansoni tar DNA-binding protein 0.0783 0.5297 0.7769
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0223
Echinococcus multilocularis mothers against decapentaplegic 5 0.0051 0.0252 0.0396
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0203 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0059 0.0024
Echinococcus multilocularis mothers against decapentaplegic 2 0.0023 0.0059 0.0029
Brugia malayi Latrophilin receptor protein 2 0.0464 0.3098 0.3068
Entamoeba histolytica hypothetical protein 0.0043 0.0203 1
Echinococcus multilocularis smad 0.0051 0.0252 0.0396
Schistosoma mansoni hypothetical protein 0.0043 0.0203 0.0235
Schistosoma mansoni hypothetical protein 0.0464 0.3098 0.4517
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0078 0.0442 0.0759
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Echinococcus multilocularis tumor protein p63 0.0408 0.2713 0.5081
Brugia malayi Smad1 0.0051 0.0252 0.0209
Loa Loa (eye worm) hypothetical protein 0.0028 0.0096 0.0096
Brugia malayi MH1 domain containing protein 0.0028 0.0096 0.0053
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0203 0.016
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0076 0.3146
Brugia malayi isocitrate dehydrogenase 0.0078 0.0442 0.04
Echinococcus multilocularis ras GTP exchange factor 0.0033 0.0131 0.0167
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0031 0.012 0.0113
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0033 0.0131 0.5511
Onchocerca volvulus 0.0046 0.0223 0.0282
Brugia malayi hypothetical protein 0.0046 0.0223 0.018
Toxoplasma gondii hypothetical protein 0.0046 0.0223 0.487
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0203 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0086 0.0469
Loa Loa (eye worm) Smad1 0.0051 0.0252 0.0252
Mycobacterium ulcerans transmembrane transport protein 0.002 0.0044 0.142
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0086 0.0469
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0044
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0078 0.0442 1
Schistosoma mansoni hypothetical protein 0.1002 0.6805 1
Brugia malayi beta-lactamase family protein 0.0043 0.0203 0.016
Trichomonas vaginalis ras GTP exchange factor, putative 0.0033 0.0131 0.5511
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0046 0.0223 0.018
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0203 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0464 0.3098 0.5814
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0223
Mycobacterium ulcerans lipase LipD 0.0043 0.0203 1
Schistosoma mansoni Smad4 0.0023 0.0059 0.0023
Echinococcus granulosus son of sevenless 1 0.0033 0.0131 0.0167
Mycobacterium ulcerans regulatory protein 0.002 0.0044 0.142
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0161 0.7739
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0047 0.1598
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0203 0.0203
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0076 0.041
Echinococcus granulosus regulator of G protein signaling 7 0.0046 0.0223 0.0342
Brugia malayi regulator of G-protein signaling egl-10 0.0046 0.0223 0.018
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.002 0.0044 0.0044
Onchocerca volvulus 0.0043 0.0203 0.025
Echinococcus multilocularis isocitrate dehydrogenase 0.0078 0.0442 0.0759
Leishmania major hypothetical protein, conserved 0.0043 0.0203 0.3992
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0076 0.3146
Echinococcus multilocularis mothers against decapentaplegic 6 0.0023 0.0059 0.0029
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0033 0.0131 0.5511
Brugia malayi MH1 domain containing protein 0.0028 0.0096 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0783 0.5297 0.7769
Brugia malayi RNA binding protein 0.0783 0.5297 0.5276
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0033 0.0131 0.0167
Schistosoma mansoni Smad4 0.0051 0.0252 0.0308
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0131 0.013
Brugia malayi DIX domain containing protein 0.0046 0.0223 0.018
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0033 0.0131 0.0131
Mycobacterium ulcerans hypothetical protein 0.0043 0.0203 1
Brugia malayi RasGEF domain containing protein 0.0033 0.0131 0.0088
Brugia malayi RNA recognition motif domain containing protein 0.0783 0.5297 0.5276
Loa Loa (eye worm) MH2 domain-containing protein 0.0742 0.5014 0.5014
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0203 0.111
Echinococcus granulosus ras GTP exchange factor 0.0033 0.0131 0.0167
Echinococcus granulosus Protein son of sevenless 0.0033 0.0131 0.0167
Brugia malayi N-terminal motif family protein 0.0033 0.0131 0.0088
Onchocerca volvulus 0.0033 0.0131 0.0138
Entamoeba histolytica hypothetical protein 0.0043 0.0203 1
Brugia malayi RasGEF domain containing protein 0.0033 0.0131 0.0088
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0203 0.0303
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0086 0.1667
Echinococcus granulosus segment polarity protein dishevelled 0.0046 0.0223 0.0342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1466 1 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0046 0.0223 0.0223
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0046 0.0223 0.0282
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0044 0.0233
Brugia malayi TAR-binding protein 0.0783 0.5297 0.5276
Mycobacterium leprae Probable lipase LipE 0.0043 0.0203 1
Brugia malayi beta-lactamase 0.0043 0.0203 0.016
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.0214 0.0268
Loa Loa (eye worm) hypothetical protein 0.1466 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0033 0.0131 0.0131
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0046 0.0223 0.0342
Toxoplasma gondii ABC1 family protein 0.0043 0.0203 0.4393
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0078 0.0442 0.0759
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0044 0.0044
Echinococcus multilocularis regulator of G protein signaling 7 0.0046 0.0223 0.0342
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.023 0.0187
Brugia malayi N-terminal motif family protein 0.0944 0.64 0.6384
Schistosoma mansoni tar DNA-binding protein 0.0783 0.5297 0.7769
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0078 0.0442 0.0759
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0033 0.0131 0.0167
Treponema pallidum cyclic nucleotide binding protein 0.002 0.0044 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0046 0.0223 0.0342
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0059 0.0029
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0315 0.0401
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0203 0.3992
Echinococcus granulosus regulator of G protein signaling 7 0.0046 0.0223 0.0342
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0203 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0086 0.3723
Loa Loa (eye worm) latrophilin receptor protein 2 0.0464 0.3098 0.3098
Brugia malayi MH1 domain containing protein 0.0051 0.0252 0.0209
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0047 0.1598
Mycobacterium tuberculosis Conserved protein 0.0043 0.0203 0.111
Echinococcus multilocularis Smad4 0.0051 0.0252 0.0396
Mycobacterium leprae Conserved hypothetical protein 0.002 0.0044 0.142
Schistosoma mansoni dishevelled 0.0046 0.0223 0.0265
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0783 0.5297 0.5297
Mycobacterium tuberculosis Conserved protein 0.0043 0.0203 0.111
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0059 0.0015
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0046 0.0223 0.018
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0078 0.0442 1
Loa Loa (eye worm) nuclear factor I 0.0028 0.0096 0.0096
Mycobacterium ulcerans thioesterase 0.0021 0.0047 0.1598
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0026 0.0255
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0051 0.0252 0.0396
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0033 0.0131 0.013
Loa Loa (eye worm) transcription factor SMAD2 0.0742 0.5014 0.5014
Schistosoma mansoni smad 0.0051 0.0252 0.0308
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0203 0.0235
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0464 0.3098 0.3068
Schistosoma mansoni smad1 5 8 and 0.0051 0.0252 0.0308
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0203 0.0303
Echinococcus multilocularis Protein son of sevenless 0.0033 0.0131 0.0167
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0944 0.64 1
Toxoplasma gondii isocitrate dehydrogenase 0.0078 0.0442 1
Treponema pallidum catabolite gene activator 0.002 0.0044 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0076 0.0032
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0044 0.0237
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.002 0.0044 0.0044
Echinococcus multilocularis regulator of G protein signaling 7 0.0046 0.0223 0.0342
Entamoeba histolytica hypothetical protein 0.0043 0.0203 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0078 0.0442 0.0759
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0086 0.3723
Loa Loa (eye worm) hypothetical protein 0.0464 0.3098 0.3098
Schistosoma mansoni tar DNA-binding protein 0.0783 0.5297 0.7769
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0076 0.041
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0042 0.1331
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0078 0.0442 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0203 0.0235
Loa Loa (eye worm) AGC/PKG protein kinase 0.002 0.0044 0.0044
Schistosoma mansoni Smad4 0.0023 0.0059 0.0023
Treponema pallidum cyclic nucleotide binding protein 0.002 0.0044 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0051 0.0252 0.0308
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0203 0.0235
Loa Loa (eye worm) hypothetical protein 0.006 0.0315 0.0315
Schistosoma mansoni regulator of G protein signaling 0.0046 0.0223 0.0265
Trichomonas vaginalis ras GTP exchange factor, putative 0.0033 0.0131 0.5511
Schistosoma mansoni hypothetical protein 0.0464 0.3098 0.4517
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0076 0.3146
Loa Loa (eye worm) hypothetical protein 0.0944 0.64 0.64
Echinococcus multilocularis segment polarity protein dishevelled 0.0046 0.0223 0.0342
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.007 0.038
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0064 0.0347
Mycobacterium ulcerans transcriptional regulatory protein 0.002 0.0044 0.142
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0047 0.0251
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0203 1
Brugia malayi latrophilin 2 splice variant baaae 0.1002 0.6805 0.6791
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0203 0.3992
Brugia malayi MH2 domain containing protein 0.0023 0.0059 0.0015
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0131 0.013
Loa Loa (eye worm) hypothetical protein 0.0023 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0043 0.0203 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0027 0.0142
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0464 0.3098 0.5814
Brugia malayi RasGEF domain containing protein 0.0033 0.0131 0.0088
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0044 0.0667
Toxoplasma gondii isocitrate dehydrogenase 0.0078 0.0442 1
Loa Loa (eye worm) DIX domain-containing protein 0.0046 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Echinococcus granulosus tar DNA binding protein 0.0783 0.5297 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0078 0.0442 1
Onchocerca volvulus 0.0044 0.0203 0.0251
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0086 0.3723
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0046 0.0223 0.0265
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0044
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0076 0.3146
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0059 0.0029
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0076 0.3146
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0161 0.0879
Mycobacterium ulcerans hypothetical protein 0.002 0.0044 0.142
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0076 0.3146
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0044 0.0667
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0203 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0051 0.0252 0.0252
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0203 0.0303
Schistosoma mansoni hypothetical protein 0.0464 0.3098 0.4517
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.002 0.0044 0.0667
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0078 0.0442 0.243
Brugia malayi MH1 domain containing protein 0.0051 0.0252 0.0209
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0044 0.0044
Brugia malayi MH2 domain containing protein 0.0051 0.0252 0.0209
Trichomonas vaginalis esterase, putative 0.0043 0.0203 1
Echinococcus granulosus Smad4 0.0051 0.0252 0.0396
Echinococcus multilocularis tar DNA binding protein 0.0783 0.5297 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0161 0.0879
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0131 0.013
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.002 0.0044 0.0233
Schistosoma mansoni smad 0.0023 0.0059 0.0023
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0044 0.0667
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0042 0.1331
Echinococcus granulosus segment polarity protein dishevelled 0.0046 0.0223 0.0342
Schistosoma mansoni smad1 5 8 and 0.0051 0.0252 0.0308
Echinococcus multilocularis GPCR, family 2 0.0464 0.3098 0.5814
Schistosoma mansoni smad1 5 8 and 0.0051 0.0252 0.0308
Brugia malayi Isocitrate dehydrogenase 0.0078 0.0442 0.04
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1816 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0203 0.111
Echinococcus multilocularis son of sevenless 1 0.0033 0.0131 0.0167
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0131 0.0131
Schistosoma mansoni z-protein (S1r protein) 0.0046 0.0223 0.0265
Schistosoma mansoni hypothetical protein 0.0464 0.3098 0.4517
Mycobacterium tuberculosis Conserved protein 0.002 0.0044 0.0233
Mycobacterium ulcerans polyketide synthase 0.0027 0.0086 0.3723
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0203 0.0303
Brugia malayi N-terminal motif family protein 0.0033 0.0131 0.0088
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0078 0.0442 1
Loa Loa (eye worm) RNA binding protein 0.0783 0.5297 0.5297
Schistosoma mansoni dep domain containing protein 0.0046 0.0223 0.0265
Loa Loa (eye worm) hypothetical protein 0.0042 0.0193 0.0193
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0076 0.041
Mycobacterium tuberculosis Conserved protein 0.0043 0.0203 0.111
Loa Loa (eye worm) isocitrate dehydrogenase 0.0078 0.0442 0.0442
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0033 0.0131 0.0167
Onchocerca volvulus 0.0023 0.0064 0.0033
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0203 0.111
Loa Loa (eye worm) MH2 domain-containing protein 0.0051 0.0252 0.0252
Treponema pallidum catabolite gene activator (Crp) 0.002 0.0044 0.5
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0086 0.3723
Loa Loa (eye worm) beta-lactamase 0.0043 0.0203 0.0203
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.002 0.0044 0.0233
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0078 0.0442 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0042 0.1331
Mycobacterium ulcerans hypothetical protein 0.002 0.0044 0.142
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0064 0.0021
Schistosoma mansoni dishevelled 0.0046 0.0223 0.0265
Mycobacterium ulcerans polyketide synthase 0.0025 0.0076 0.3146
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0044
Brugia malayi Calcitonin receptor-like protein seb-1 0.1466 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0203 0.0203
Schistosoma mansoni ras GTP exchange factor 0.0033 0.0131 0.013
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0033 0.0131 0.0138
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.002 0.0044 0.0667
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0073 0.0073
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0203 0.111
Schistosoma mansoni tar DNA-binding protein 0.0783 0.5297 0.7769
Echinococcus granulosus GPCR family 2 0.0464 0.3098 0.5814
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0044 0.0667
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.002 0.0044 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0086 0.0469
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0033 0.0131 0.22
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0203 0.3992
Echinococcus granulosus mothers against decapentaplegic 5 0.0051 0.0252 0.0396

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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