Detailed information for compound 1122253

Basic information

Technical information
  • TDR Targets ID: 1122253
  • Name: 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiol o[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3 -ylmethyl)acetamide
  • MW: 386.491 | Formula: C18H18N4O2S2
  • H donors: 2 H acceptors: 3 LogP: 2.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1cccnc1
  • InChi: 1S/C18H18N4O2S2/c23-14(20-9-11-4-3-7-19-8-11)10-25-18-21-16(24)15-12-5-1-2-6-13(12)26-17(15)22-18/h3-4,7-8H,1-2,5-6,9-10H2,(H,20,23)(H,21,22,24)
  • InChiKey: APAWFOQKZZVRKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-pyridylmethyl)acetamide
  • 2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(3-pyridylmethyl)acetamide
  • 2-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(3-pyridylmethyl)acetamide
  • 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide
  • Oprea1_341017
  • Oprea1_432535
  • AF-399/15104026
  • BAS 02072502
  • ZINC00706963
  • STOCK2S-14143
  • BIM-0047504.P001
  • ChemDiv1_005011
  • MixCom6_002468
  • CBMicro_047524

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
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Echinococcus multilocularis chromobox protein 1 0.0075 0.0252 0.0245
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0161 0.0153
Schistosoma mansoni acetyl-CoA synthetase 0.0023 0.0015 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Giardia lamblia DINP protein human, muc B family 0.0021 0.0008 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Entamoeba histolytica hypothetical protein 0.0234 0.0978 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0078 0.0267 0.909
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Leishmania major hypothetical protein, conserved 0.0032 0.0057 0.1922
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.0161 0.6026
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0252 0.0284
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0032 0.0057 0.2152
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0023 0.0015 0.0546
Trichomonas vaginalis Esterase, putative 0.0032 0.0057 0.2035
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0032 0.0057 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0023 0.0015 0.0546
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1912 0.8626 0.8625
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0023 0.0015 0.1405
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0023 0.0015 0.0246
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0078 0.0267 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0176 0.0196
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0023 0.0015 0.0007
Schistosoma mansoni thyroid hormone receptor 0.0151 0.06 0.0593
Echinococcus granulosus chromobox protein 1 0.0075 0.0252 0.0245
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0015 0.0546
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0032 0.0057 0.154
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0102 0.385
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0023 0.0015 0.0546
Entamoeba histolytica hypothetical protein 0.0234 0.0978 1
Loa Loa (eye worm) aryl-acylamidase 0.0032 0.0057 0.0058
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0042 0.0975
Mycobacterium ulcerans acetyl-CoA synthetase 0.0023 0.0015 0.0246
Loa Loa (eye worm) hypothetical protein 0.0023 0.0015 0.0008
Brugia malayi AMP-binding enzyme family protein 0.0078 0.0267 0.267
Echinococcus multilocularis chromobox protein 1 0.0075 0.0252 0.0245
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0023 0.0015 0.0007
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0008 0.0284
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0032 0.0057 0.2152
Mycobacterium leprae Possible lipase LipU 0.0032 0.0057 0.154
Echinococcus multilocularis hormone sensitive lipase 0.1912 0.8626 0.8625
Leishmania major 4-coumarate:coa ligase-like protein 0.0078 0.0267 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0234 0.0978 0.0971
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0252 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0116 0.4446
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0078 0.0267 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0015 0.0072
Schistosoma mansoni chromobox protein 0.0075 0.0252 0.0245
Loa Loa (eye worm) hypothetical protein 0.0078 0.0267 0.0301
Plasmodium falciparum acyl-CoA synthetase 0.0059 0.0176 0.5822
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.0293 0.0285
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Entamoeba histolytica acyl-CoA synthetase, putative 0.0078 0.0267 0.267
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0102 0.385
Mycobacterium tuberculosis Probable esterase LipM 0.0032 0.0057 0.2152
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0032 0.0057 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0293 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0252 1
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0161 0.0153
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0032 0.0057 0.2152
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0023 0.0015 0.0246
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0042 0.0975
Loa Loa (eye worm) hypothetical protein 0.0042 0.0102 0.0109
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.0293 0.0285
Schistosoma mansoni microtubule-associated protein tau 0.2214 1 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0023 0.0015 0.1405
Mycobacterium ulcerans lipase LipU 0.0032 0.0057 0.1748
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.0293 0.0285
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0023 0.0015 0.0246
Loa Loa (eye worm) hypothetical protein 0.0059 0.0176 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0057 0.2035
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0162 0.6071
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0032 0.0057 0.154
Leishmania major 4-coumarate:coa ligase-like protein 0.0078 0.0267 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0023 0.0015 0.0546
Loa Loa (eye worm) hypothetical protein 0.1912 0.8626 1
Schistosoma mansoni hypothetical protein 0.0234 0.0978 0.0971
Schistosoma mansoni thyroid hormone receptor 0.0151 0.06 0.0593
Trichomonas vaginalis antibiotic synthetase, putative 0.0023 0.0015 0.0286
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0023 0.0015 0.0246
Loa Loa (eye worm) hypothetical protein 0.0033 0.006 0.0061
Entamoeba histolytica acyl-coA synthetase, putative 0.0078 0.0267 0.267
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0015 0.0546
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0116 0.4446
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.0293 1
Mycobacterium ulcerans carboxylesterase LipQ 0.0032 0.0057 0.1748
Mycobacterium ulcerans lipase LipI 0.0032 0.0057 0.1748
Mycobacterium ulcerans esterase/lipase 0.0032 0.0057 0.1748
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0046 0.156
Plasmodium vivax acyl-CoA synthetase, putative 0.0059 0.0176 0.5822
Mycobacterium ulcerans lipase LipU 0.0032 0.0057 0.1748
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0015 0.0072
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0059 0.0176 0.6617
Loa Loa (eye worm) hypothetical protein 0.0059 0.0176 0.0196
Loa Loa (eye worm) hypothetical protein 0.0078 0.0267 0.0301
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0023 0.0015 0.0246
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0078 0.0267 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0023 0.0015 0.1405
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0293 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.06 0.0593
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0023 0.0015 0.1405
Trichomonas vaginalis antibiotic synthetase, putative 0.0023 0.0015 0.0286
Mycobacterium ulcerans esterase LipO 0.0032 0.0057 0.1748
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0046 0.156
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0293 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0023 0.0015 0.0072
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0023 0.0015 0.027
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0042 0.0975
Mycobacterium ulcerans hypothetical protein 0.0032 0.0057 0.1748
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0032 0.0057 0.2152
Onchocerca volvulus 0.0078 0.0267 1
Leishmania major ecotin, putative 0.0032 0.0057 0.1922
Mycobacterium ulcerans lipase/esterase LipN 0.0032 0.0057 0.1748
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0015 0.0546
Trichomonas vaginalis Esterase, putative 0.0032 0.0057 0.2035
Mycobacterium ulcerans acyl-CoA synthetase 0.0078 0.0267 0.909
Mycobacterium tuberculosis Probable lipase LipH 0.0032 0.0057 0.2152
Mycobacterium tuberculosis Probable esterase LipO 0.0032 0.0057 0.2152
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0023 0.0015 0.0546
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0032 0.0057 0.005
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0078 0.0267 0.909
Echinococcus multilocularis microtubule associated protein 2 0.2214 1 1
Schistosoma mansoni hypothetical protein 0.014 0.0548 0.0541
Loa Loa (eye worm) oxidoreductase 0.0023 0.0015 0.0008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0162 0.6071
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0015 0.0246
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0102 0.3461
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0023 0.0015 0.0072
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0059 0.0176 0.5925
Echinococcus granulosus hormone sensitive lipase 0.1912 0.8626 0.8625
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0032 0.0057 1
Mycobacterium ulcerans hypothetical protein 0.0078 0.0267 0.909
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1912 0.8626 0.8625
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0116 0.4039
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0078 0.0267 0.9067
Loa Loa (eye worm) hypothetical protein 0.0059 0.0176 0.0196
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.0548 0.0541
Leishmania major acetyl-CoA synthetase, putative 0.0023 0.0015 0.027
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0023 0.0015 0.0072
Loa Loa (eye worm) hypothetical protein 0.0084 0.0293 0.0331
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0078 0.0267 0.909
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0008 0.0284
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0162 0.6071
Mycobacterium ulcerans membrane-bound esterase LipM 0.0032 0.0057 0.1748
Brugia malayi Probable ClpP-like protease 0.0084 0.0293 0.2937
Brugia malayi MH2 domain containing protein 0.0133 0.0515 0.5232
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0515 0.0589
Brugia malayi aryl-acylamidase 0.0032 0.0057 0.0513
Brugia malayi Heterochromatin protein 1 0.0075 0.0252 0.2522
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0078 0.0267 0.9067
Loa Loa (eye worm) hypothetical protein 0.0059 0.0176 0.0196
Leishmania major acetyl-CoA synthetase, putative 0.0023 0.0015 0.027
Loa Loa (eye worm) ammd protein 0.0032 0.0057 0.0058
Entamoeba histolytica hypothetical protein 0.0234 0.0978 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Mycobacterium tuberculosis Possible lipase LipU 0.0032 0.0057 0.2152
Mycobacterium ulcerans acyl-CoA synthetase 0.0078 0.0267 0.909
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0032 0.0057 0.2152
Mycobacterium tuberculosis Probable esterase LipC 0.0032 0.0057 0.2152
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0078 0.0267 0.909
Mycobacterium ulcerans esterase LipW 0.0032 0.0057 0.1748
Trichomonas vaginalis Esterase, putative 0.0032 0.0057 0.2035
Loa Loa (eye worm) hypothetical protein 0.0078 0.0267 0.0301
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0015 0.0008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0162 0.6071
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.0548 0.0541
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1912 0.8626 0.8625
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0032 0.0057 0.2152
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0015 0.0546
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0234 0.0978 0.0971
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0015 0.0072
Mycobacterium tuberculosis Possible esterase LipW 0.0032 0.0057 0.2152
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0293 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0023 0.0015 0.1405
Brugia malayi AMP-binding enzyme family protein 0.0078 0.0267 0.267
Brugia malayi AMP-binding enzyme family protein 0.0078 0.0267 0.267
Toxoplasma gondii hypothetical protein 0.0029 0.0042 0.0975
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0078 0.0267 0.909
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0023 0.0015 0.0246
Brugia malayi hypothetical protein 0.0234 0.0978 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0015 0.0072
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0015 0.0008
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0032 0.0057 1
Onchocerca volvulus 0.0033 0.006 0.1815
Echinococcus granulosus chromobox protein 1 0.0075 0.0252 0.0245
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0032 0.0057 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.0161 0.5256
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.0161 0.6026
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0023 0.0015 0.0546
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0023 0.0015 0.1405
Loa Loa (eye worm) hypothetical protein 0.0023 0.0015 0.0008
Mycobacterium ulcerans esterase LipC 0.0032 0.0057 0.1748
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0032 0.0057 0.1748
Entamoeba histolytica hypothetical protein 0.0234 0.0978 1
Onchocerca volvulus 0.0032 0.0057 0.1698
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0023 0.0015 0.0246
Brugia malayi chromobox protein homolog 3 0.0042 0.0102 0.0971
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0515 0.0589
Schistosoma mansoni transcription factor LCR-F1 0.0234 0.0978 0.0971
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0015 0.0546
Schistosoma mansoni chromobox protein 0.0075 0.0252 0.0245
Mycobacterium ulcerans lipase LipH 0.0032 0.0057 0.1748
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0015 0.0246
Entamoeba histolytica acyl-CoA synthetase, putative 0.0078 0.0267 0.267
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0032 0.0057 0.0626

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human IKK-beta using TMB as substrate after 30 mins by spectrophotometry ChEMBL. 21708416

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

1 literature reference was collected for this gene.

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