Detailed information for compound 1200104

Basic information

Technical information
  • TDR Targets ID: 1200104
  • Name: N-(phenylmethyl)-2-(3,5,9-trimethyl-7-oxopyra no[5,6-f][1]benzoxol-6-yl)acetamide
  • MW: 375.417 | Formula: C23H21NO4
  • H donors: 1 H acceptors: 2 LogP: 3.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NCc1ccccc1
  • InChi: 1S/C23H21NO4/c1-13-12-27-21-15(3)22-18(9-17(13)21)14(2)19(23(26)28-22)10-20(25)24-11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H,24,25)
  • InChiKey: KSYFFBFFPZCBOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(phenylmethyl)-2-(3,5,9-trimethyl-7-oxo-pyrano[5,6-f]benzofuran-6-yl)acetamide
  • N-(phenylmethyl)-2-(3,5,9-trimethyl-7-oxo-6-pyrano[5,6-f]benzofuranyl)acetamide
  • N-(benzyl)-2-(7-keto-3,5,9-trimethyl-pyrano[5,6-f]benzofuran-6-yl)acetamide
  • N-(phenylmethyl)-2-(3,5,9-trimethyl-7-oxo-pyrano[5,6-f][1]benzoxol-6-yl)ethanamide
  • NCGC00116483-01
  • ZINC04743941
  • ST5328131
  • D146-0204

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0095 0.0072
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0495 0.4716 0.4866
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.0626 0.0658
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Leishmania major cathepsin L-like protease 0.0072 0.0466 0.049
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 0.2264
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0225 0.0815
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0626 0.6555
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0048 0.0225 0.0237
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0121 0.0955 0.0932
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.2765 1
Mycobacterium leprae conserved hypothetical protein 0.0121 0.0955 0.1004
Onchocerca volvulus 0.0121 0.0955 0.4318
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.0955 0.0967
Leishmania major cathepsin L-like protease 0.0072 0.0466 0.049
Loa Loa (eye worm) hypothetical protein 0.0048 0.0225 0.02
Loa Loa (eye worm) glutaminase 0.0275 0.2505 0.2486
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0044 0.0461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0048 0.0225 0.0744
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0202 0.0184
Schistosoma mansoni microsomal glutathione s-transferase 0.0113 0.088 0.0871
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.1218 0.1218
Echinococcus granulosus beta LACTamase domain containing family member 0.0121 0.0955 0.096
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0048 0.0225 0.0237
Echinococcus granulosus tumor protein p63 0.0371 0.347 0.3576
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0048 0.0225 0.0189
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0048 0.0225 0.0225
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0985 0.9644 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0225 0.0237
Onchocerca volvulus 0.0048 0.0225 0.0859
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.1296 0.428
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0225 0.0237
Mycobacterium tuberculosis Probable lipase LipD 0.0121 0.0955 0.1004
Mycobacterium ulcerans esterase/lipase LipP 0.0121 0.0955 0.0955
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Mycobacterium tuberculosis Conserved protein 0.0121 0.0955 0.1004
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0048 0.0225 0.3599
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.1218 0.128
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Onchocerca volvulus 0.0121 0.0955 0.4318
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Trichomonas vaginalis D-aminoacylase, putative 0.0121 0.0955 0.3222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0647 0.0628
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0048 0.0225 0.0225
Toxoplasma gondii propionate-CoA ligase 0.0048 0.0225 0.2359
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0048 0.0225 0.0237
Loa Loa (eye worm) hypothetical protein 0.0048 0.0225 0.02
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0121 0.0955 0.1004
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0048 0.0225 0.2359
Mycobacterium tuberculosis Probable hydrolase 0.0121 0.0955 0.1004
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.0955 0.0967
Mycobacterium ulcerans hypothetical protein 0.0048 0.0225 0.0225
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.0626 0.0617
Leishmania major hypothetical protein, conserved 0.0028 0.0025 0.0027
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0045 0.0047
Brugia malayi Probable ClpP-like protease 0.0088 0.0626 0.0602
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0225 0.0237
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0048 0.0225 0.0208
Leishmania major fatty acid transporter protein-like protein 0.0972 0.9514 1
Mycobacterium tuberculosis Conserved protein 0.0121 0.0955 0.1004
Echinococcus multilocularis tumor protein p63 0.0371 0.347 0.3569
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.0321 0.0337
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0225 0.0815
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0972 0.9514 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.1021 1 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0985 0.9644 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0202 0.0184
Mycobacterium ulcerans beta-lactamase 0.0121 0.0955 0.0955
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0225 0.0225
Trichomonas vaginalis rotamase, putative 0.0036 0.0104 0.0032
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0466 0.0458
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0301 0.2765 1
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0985 0.9644 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0327 0.3029 1
Treponema pallidum fructose-bisphosphate aldolase 0.0301 0.2765 1
Onchocerca volvulus 0.024 0.2154 1
Echinococcus granulosus long chain fatty acid transport protein 4 0.0985 0.9644 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0301 0.2765 0.5
Trichomonas vaginalis set domain proteins, putative 0.024 0.2154 0.7712
Trypanosoma brucei hypothetical protein, conserved 0.0121 0.0955 0.3154
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Schistosoma mansoni acetyl-CoA synthetase 0.0048 0.0225 0.0189
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0048 0.0225 0.0744
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.0311 0.0296
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0225 0.0815
Mycobacterium ulcerans lipase LipD 0.0121 0.0955 0.0955
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0202 0.0668
Plasmodium vivax SET domain protein, putative 0.003 0.0044 0.0461
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0104 0.0032
Onchocerca volvulus 0.0054 0.0286 0.1145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0647 0.0628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0647 0.0628
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0045 0.0473
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0048 0.0225 0.02
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0025 0.0267
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0048 0.0225 0.2359
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0048 0.0225 0.0225
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0225 0.0237
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0647 0.0639
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0121 0.0955 0.0955
Loa Loa (eye worm) beta-lactamase 0.0121 0.0955 0.0932
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.1087 0.1064
Brugia malayi Pre-SET motif family protein 0.003 0.0044 0.0019
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0048 0.0225 0.0237
Schistosoma mansoni FFA transport protein 0.0985 0.9644 1
Leishmania major acetyl-CoA synthetase, putative 0.0048 0.0225 0.0237
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.0626 0.0606
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0035 0.0096 0.0101
Brugia malayi MH2 domain containing protein 0.0134 0.1087 0.1064
Trichomonas vaginalis glutaminase, putative 0.0275 0.2505 0.9026
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0121 0.0955 0.1004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Schistosoma mansoni hypothetical protein 0.0359 0.3353 0.3447
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0048 0.0225 0.0208
Schistosoma mansoni glutaminase 0.0275 0.2505 0.2564
Onchocerca volvulus 0.0121 0.0955 0.4318
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1861 0.184
Loa Loa (eye worm) hypothetical protein 0.0037 0.0116 0.0091
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.029 0.0265
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.0466 0.0458
Echinococcus granulosus geminin 0.0359 0.3353 0.3454
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0048 0.0225 0.02
Leishmania major hypothetical protein, conserved 0.0121 0.0955 0.1004
Mycobacterium ulcerans acetyl-CoA synthetase 0.0048 0.0225 0.0225
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0225 0.0237
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Toxoplasma gondii hypothetical protein 0.0053 0.027 0.2829
Trichomonas vaginalis penicillin-binding protein, putative 0.0121 0.0955 0.3222
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0035 0.0095 0.0343
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Loa Loa (eye worm) oxidoreductase 0.0048 0.0225 0.02
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0048 0.0225 0.0208
Loa Loa (eye worm) hypothetical protein 0.0092 0.0665 0.0641
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.1296 0.1362
Toxoplasma gondii MAPEG family protein 0.0113 0.088 0.9214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.029 0.0265
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.1218 0.128
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0048 0.0225 0.0237
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0286 0.0252
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.0626 0.0606
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Trichomonas vaginalis antibiotic synthetase, putative 0.0048 0.0225 0.0488
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0121 0.0955 0.0949
Trichomonas vaginalis esterase, putative 0.0121 0.0955 0.3222
Loa Loa (eye worm) hypothetical protein 0.0054 0.0286 0.0261
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.0403 0.0392
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0202 0.0184
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.0321 0.0337
Plasmodium vivax hypothetical protein, conserved 0.0121 0.0955 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.0626 0.6555
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Mycobacterium ulcerans hypothetical protein 0.0172 0.1472 0.1472
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0225 0.0225
Mycobacterium tuberculosis Conserved protein 0.0121 0.0955 0.1004
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Echinococcus multilocularis beta LACTamase domain containing family member 0.0121 0.0955 0.0949
Schistosoma mansoni hypothetical protein 0.0037 0.0116 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0088 0.0626 0.0602
Schistosoma mansoni microtubule-associated protein tau 0.0706 0.6832 0.7071
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0048 0.0225 0.02
Loa Loa (eye worm) hypothetical protein 0.0055 0.029 0.0265
Mycobacterium ulcerans glutaminase 0.0275 0.2505 0.2505
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.0665 0.0647
Echinococcus multilocularis expressed protein 0.0036 0.0104 0.0062
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0647 0.0623
Loa Loa (eye worm) glutaminase 2 0.0275 0.2505 0.2486
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0113 0.088 0.0871
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.0321 0.03
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0045 0.0163
Leishmania major cathepsin L-like protease 0.0072 0.0466 0.049
Onchocerca volvulus 0.0092 0.0665 0.2942
Loa Loa (eye worm) hypothetical protein 0.0048 0.0225 0.02
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0772 0.7505 0.7888
Plasmodium vivax acetyl-CoA synthetase, putative 0.0048 0.0225 0.2359
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0225 0.0237
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0466 0.0458
Trichomonas vaginalis antibiotic synthetase, putative 0.0048 0.0225 0.0488
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Onchocerca volvulus 0.0048 0.0225 0.0859
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0048 0.0225 0.0237
Toxoplasma gondii hypothetical protein 0.003 0.0045 0.0473
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.1087 0.1064
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0025 0.0407
Echinococcus granulosus microsomal glutathione S transferase 3 0.0113 0.088 0.0882
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0025 0.0084
Onchocerca volvulus 0.0048 0.0225 0.0859
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Echinococcus multilocularis microtubule associated protein 2 0.0706 0.6832 0.7071
Brugia malayi beta-lactamase family protein 0.0121 0.0955 0.0932
Loa Loa (eye worm) hypothetical protein 0.0048 0.0225 0.02
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.0665 0.0658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Echinococcus granulosus microtubule associated protein 2 0.0706 0.6832 0.7075
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0025 0.0407
Trichomonas vaginalis D-aminoacylase, putative 0.0121 0.0955 0.3222
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0301 0.2765 1
Mycobacterium ulcerans hypothetical protein 0.0121 0.0955 0.0955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0647 0.0628
Schistosoma mansoni rotamase 0.0036 0.0104 0.0062
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0036 0.0104 0.0078
Loa Loa (eye worm) hypothetical protein 0.003 0.0044 0.0019
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0045 0.0721
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0303 0.0289
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0048 0.0225 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0647 0.0628
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0466 0.0458
Mycobacterium tuberculosis Probable esterase LipL 0.0121 0.0955 0.1004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.029 0.0265
Brugia malayi beta-lactamase 0.0121 0.0955 0.0932
Trichomonas vaginalis D-aminoacylase, putative 0.0121 0.0955 0.3222
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0048 0.0225 0.02
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0225 0.0225
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0121 0.0955 0.1004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0121 0.0955 0.0932
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0225 0.02
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0972 0.9514 1
Echinococcus multilocularis geminin 0.0359 0.3353 0.3447
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0036 0.0104 0.0078
Schistosoma mansoni hypothetical protein 0.0359 0.3353 0.3447
Mycobacterium tuberculosis Conserved hypothetical protein 0.0172 0.1472 0.1547
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0626 0.6555
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0048 0.0225 0.0237
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0048 0.0225 0.0225
Onchocerca volvulus 0.0048 0.0225 0.0859
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0048 0.0225 0.0208
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.1296 0.1321
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.0321 0.0337
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.0321 0.0288
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0327 0.3029 0.3122
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Trichomonas vaginalis penicillin-binding protein, putative 0.0121 0.0955 0.3222
Echinococcus granulosus expressed protein 0.0036 0.0104 0.0074
Mycobacterium tuberculosis Probable lipase LipE 0.0121 0.0955 0.1004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0225 0.0225
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 0.0626
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 0.0626
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0035 0.0095 0.01
Onchocerca volvulus 0.0048 0.0225 0.0859
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0095 0.0072
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0048 0.0225 0.0815
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1021 1 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0225 0.02
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0116 0.0091
Leishmania major mitochondrial DNA polymerase beta 0.0327 0.3029 0.3183
Leishmania major acetyl-CoA synthetase, putative 0.0048 0.0225 0.0237
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0035 0.0095 0.0314
Brugia malayi Pre-SET motif family protein 0.0211 0.1861 0.184
Loa Loa (eye worm) hypothetical protein 0.0121 0.0955 0.0932
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0327 0.3029 0.3122
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0044 0.0012
Brugia malayi glutaminase DH11.1 0.0275 0.2505 0.2486
Toxoplasma gondii ABC1 family protein 0.0121 0.0955 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0025 0.0267
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0048 0.0225 0.0225
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.0665 0.0641
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0225 0.0237
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.0665 0.0647
Mycobacterium leprae Probable lipase LipE 0.0121 0.0955 0.1004
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0095 0.0994
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0647 0.0623
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0048 0.0225 0.0237
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0121 0.0955 0.0949
Brugia malayi beta-lactamase family protein 0.0121 0.0955 0.0932
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0225 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0647 0.0639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0466 0.1539
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0225 0.0225
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0048 0.0225 0.0237
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0626 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.