Detailed information for compound 1203720

Basic information

Technical information
  • TDR Targets ID: 1203720
  • Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3, 5-dimethylbenzoate
  • MW: 318.368 | Formula: C17H22N2O4
  • H donors: 2 H acceptors: 3 LogP: 3.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)NC1CCCC1)COC(=O)c1cc(C)cc(c1)C
  • InChi: 1S/C17H22N2O4/c1-11-7-12(2)9-13(8-11)16(21)23-10-15(20)19-17(22)18-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,18,19,20,22)
  • InChiKey: NTKAIJMERPHDEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 3,5-dimethylbenzoate
  • 3,5-dimethylbenzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester
  • 3,5-dimethylbenzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester
  • T5418180
  • ZINC03401671

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0054 0.0354 0.0781
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0119 0.0914 1
Echinococcus granulosus survival motor neuron protein 1 0.052 0.4395 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0354 0.0334
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.1166 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.002 0.0019
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.002 0.0019
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.0354 0.0334
Entamoeba histolytica hypothetical protein 0.0043 0.0255 0.2673
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.002 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0227 0.6943
Echinococcus multilocularis lamin 0.0032 0.0161 0.0195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0361 0.0797
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0354 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0227 0.0226
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0306
Mycobacterium leprae conserved hypothetical protein 0.004 0.0227 0.0207
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0031 0.0026
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0146 0.5859
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0234 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.2088 0.2087
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0227 1
Echinococcus granulosus intermediate filament protein 0.0032 0.0161 0.0367
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0012
Echinococcus multilocularis Niemann Pick C1 protein 0.0167 0.1335 0.1617
Entamoeba histolytica hypothetical protein 0.0043 0.0255 0.2673
Loa Loa (eye worm) hypothetical protein 0.005 0.0318 0.0699
Echinococcus multilocularis lamin dm0 0.0032 0.0161 0.0195
Brugia malayi Niemann-Pick C1 protein precursor 0.0117 0.0898 0.2007
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0117 0.0898 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0354 0.0781
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.002
Loa Loa (eye worm) oxidoreductase 0.0016 0.002 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0361 0.0437
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0227 0.0275
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.002 0.0019
Echinococcus multilocularis Niemann Pick C1 protein 0.0117 0.0898 0.1088
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Schistosoma mansoni hypothetical protein 0.0048 0.0302 0.3305
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0234 0.0215
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0057
Echinococcus granulosus neuropeptide s receptor 0.051 0.4304 0.9791
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0227 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0227 0.6943
Echinococcus multilocularis protein dispatched 1 0.0057 0.0379 0.046
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0354 0.0762
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0354 0.0762
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.002 0.0019
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0146 0.5859
Echinococcus multilocularis sterol regulatory element binding protein 0.005 0.0318 0.0385
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0512 0.4325 0.984
Loa Loa (eye worm) hypothetical protein 0.0041 0.0234 0.0508
Schistosoma mansoni hypothetical protein 0.0048 0.0302 0.3305
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0318 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0361 0.0821
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.002 0.002
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0354 0.0762
Loa Loa (eye worm) hypothetical protein 0.0041 0.0234 0.0508
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0361 0.0821
Onchocerca volvulus 0.0054 0.0354 0.4266
Brugia malayi follicle stimulating hormone receptor 0.0512 0.4325 0.984
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.002 0.0221
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0965 0.8256 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0361 0.3948
Entamoeba histolytica hypothetical protein 0.0043 0.0255 0.2673
Entamoeba histolytica hypothetical protein 0.0043 0.0255 0.2673
Echinococcus multilocularis survival motor neuron protein 1 0.052 0.4395 0.5324
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0227 0.2482
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0227 0.6943
Trichomonas vaginalis esterase, putative 0.004 0.0227 0.6943
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0106 0.0802 0.1787
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0031 0.0046
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0354 0.0334
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0146 0.0126
Brugia malayi beta-lactamase family protein 0.004 0.0227 0.0472
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0107
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Schistosoma mansoni lamin 0.0032 0.0161 0.1766
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0017 0.0038
Schistosoma mansoni hypothetical protein 0.0041 0.0239 0.2611
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0227 0.0472
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0227 0.2482
Echinococcus granulosus Protein patched homolog 1 0.005 0.0318 0.0723
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0239 0.0499
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0017 0.002
Brugia malayi intermediate filament protein 0.0032 0.0161 0.0323
Onchocerca volvulus 0.004 0.0227 0.2643
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0354 0.0334
Brugia malayi hypothetical protein 0.0043 0.0255 0.0536
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0161 0.0323
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0361 0.0437
Mycobacterium leprae Probable lipase LipE 0.004 0.0227 0.0207
Schistosoma mansoni patched 1 0.005 0.0318 0.3478
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0234 0.0233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0404 0.0895
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.002 0.0019
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0227 0.6943
Schistosoma mansoni hypothetical protein 0.0048 0.0302 0.3305
Loa Loa (eye worm) hypothetical protein 0.0041 0.0239 0.0518
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0512
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0354 0.3799
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.0354 0.0334
Echinococcus granulosus lamin 0.0032 0.0161 0.0367
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0215 0.0214
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.002 0.0024
Loa Loa (eye worm) hypothetical protein 0.0117 0.0898 0.2023
Echinococcus multilocularis GPCR, family 2 0.0019 0.0047 0.0057
Echinococcus granulosus Niemann Pick C1 protein 0.0117 0.0898 0.2044
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0234 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0161 0.0342
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0047 0.0081
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.005 0.0318 0.0699
Echinococcus granulosus expressed conserved protein 0.011 0.0837 0.1903
Echinococcus granulosus neuropeptide receptor A26 0.051 0.4304 0.9791
Onchocerca volvulus 0.004 0.0227 0.2643
Echinococcus multilocularis neuropeptide receptor A26 0.051 0.4304 0.5213
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0512
Echinococcus granulosus sterol regulatory element binding protein 0.005 0.0318 0.0723
Loa Loa (eye worm) hypothetical protein 0.052 0.4395 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0255 0.058
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.002 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0081
Toxoplasma gondii ABC1 family protein 0.004 0.0227 0.0207
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.002 0.002
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0354 0.3799
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.0354 0.3799
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0512
Loa Loa (eye worm) hypothetical protein 0.0041 0.0234 0.0508
Mycobacterium ulcerans beta-lactamase 0.004 0.0227 0.0207
Schistosoma mansoni hypothetical protein 0.0043 0.0255 0.2789
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0161 0.0342
Loa Loa (eye worm) hypothetical protein 0.0032 0.0161 0.0342
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0227 0.6943
Echinococcus granulosus GPCR family 2 0.0019 0.0047 0.0107
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0047 0.0061
Schistosoma mansoni hypothetical protein 0.0106 0.0802 0.8777
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1133 0.2558
Brugia malayi hypothetical protein 0.052 0.4395 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0404 0.0877
Echinococcus multilocularis neuropeptide s receptor 0.051 0.4304 0.5213
Loa Loa (eye worm) hypothetical protein 0.0062 0.0416 0.0923
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0215 0.0214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0361 0.3948
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0047 0.0061
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0227 0.0207
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.002 0.0019
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.002 0.0019
Brugia malayi CHE-14 protein 0.005 0.0318 0.068
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.002
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.0354 0.0334
Onchocerca volvulus 0.004 0.0227 0.2643
Echinococcus multilocularis protein patched 0.005 0.0318 0.0385
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.0354 0.0353
Schistosoma mansoni hypothetical protein 0.0048 0.0302 0.3305
Schistosoma mansoni survival motor neuron protein 0.0106 0.0802 0.8777
Brugia malayi beta-lactamase family protein 0.004 0.0227 0.0472
Mycobacterium ulcerans lipase LipD 0.004 0.0227 0.0207
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0227 0.0226
Brugia malayi beta-lactamase 0.004 0.0227 0.0472
Brugia malayi hypothetical protein 0.002 0.0052 0.0073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0361 0.3948
Schistosoma mansoni intermediate filament proteins 0.0032 0.0161 0.1766
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0146 0.6073
Echinococcus granulosus Niemann Pick C1 protein 0.0167 0.1335 0.3036
Loa Loa (eye worm) hypothetical protein 0.0032 0.0156 0.033
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0146 0.6073
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0255 0.0309
Loa Loa (eye worm) hypothetical protein 0.0041 0.0234 0.0508
Loa Loa (eye worm) hypothetical protein 0.0054 0.0354 0.0781
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0354 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0215 0.0214
Echinococcus granulosus lamin dm0 0.0032 0.0161 0.0367
Echinococcus multilocularis musashi 0.0032 0.0161 0.0195
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.0354 0.0353
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.1166 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0227 0.0226
Onchocerca volvulus 0.0032 0.0161 0.1806
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.002 0.0046
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0354 0.0334
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0255 0.2789
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0234 0.5
Brugia malayi hypothetical protein 0.003 0.0146 0.0287
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0146 0.5859
Echinococcus multilocularis expressed conserved protein 0.011 0.0837 0.1013
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0227 0.0491
Loa Loa (eye worm) hypothetical protein 0.006 0.0404 0.0895
Onchocerca volvulus 0.0032 0.0161 0.1806
Mycobacterium ulcerans hypothetical protein 0.004 0.0227 0.0207
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0512
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Schistosoma mansoni lamin 0.0032 0.0161 0.1766
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0227 0.0516
Mycobacterium tuberculosis Conserved protein 0.004 0.0227 0.0226
Mycobacterium tuberculosis Conserved protein 0.004 0.0227 0.0226
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0227 0.0226
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.002 0.0019
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0354 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0354 0.0334
Mycobacterium ulcerans hypothetical protein 0.0054 0.0354 0.0334
Loa Loa (eye worm) hypothetical protein 0.004 0.0227 0.0491
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0227 0.0226
Leishmania major hypothetical protein, conserved 0.004 0.0227 0.6195
Onchocerca volvulus 0.0106 0.0802 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0215 0.0214
Leishmania major hypothetical protein, conserved 0.003 0.0146 0.3762
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0361 0.0779
Brugia malayi MH2 domain containing protein 0.0144 0.1133 0.2543
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.002 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0234 0.0508
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0354 0.0334
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0146 0.6073
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0227 0.0226
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0227 0.0226
Plasmodium vivax hypothetical protein, conserved 0.004 0.0227 0.9648
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0227 0.0207
Toxoplasma gondii pantoate-beta-alanine ligase 0.1166 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0057
Mycobacterium tuberculosis Conserved protein 0.004 0.0227 0.0226
Loa Loa (eye worm) beta-lactamase 0.004 0.0227 0.0491
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1133 0.2558
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0404 0.0877

Activities

Activity type Activity value Assay description Source 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) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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