Detailed information for compound 1379193

Basic information

Technical information
  • TDR Targets ID: 1379193
  • Name: N-(1-adamantyl)-2-[(4-methyl-1,3-thiazol-2-yl )sulfanyl]acetamide
  • MW: 322.489 | Formula: C16H22N2OS2
  • H donors: 1 H acceptors: 2 LogP: 4.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC12CC3CC(C2)CC(C1)C3)CSc1scc(n1)C
  • InChi: 1S/C16H22N2OS2/c1-10-8-20-15(17-10)21-9-14(19)18-16-5-11-2-12(6-16)4-13(3-11)7-16/h8,11-13H,2-7,9H2,1H3,(H,18,19)
  • InChiKey: LOOCYWBNHFSVOE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-adamantyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
  • N-(1-adamantyl)-2-[(4-methyl-2-thiazolyl)thio]acetamide
  • N-(1-adamantyl)-2-[(4-methylthiazol-2-yl)thio]acetamide
  • N-(1-adamantyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide
  • ZINC05101602
  • MLS000565940
  • SMR000153098
  • T5247950

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0034 0.0835
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0154
Plasmodium vivax heat shock protein 86, putative 0.0036 0.01 0.2722
Mycobacterium tuberculosis Conserved protein 0.0062 0.0219 0.0509
Trichomonas vaginalis heat shock protein, putative 0.0036 0.01 0.2722
Loa Loa (eye worm) beta-lactamase 0.0062 0.0219 0.5198
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Echinococcus granulosus heat shock protein 0.0036 0.01 0.075
Schistosoma mansoni endoplasmin 0.0036 0.01 0.075
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0092 0.0355 0.0827
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0112 0.2673
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0024 0.002
Toxoplasma gondii ABC1 family protein 0.0062 0.0219 0.6127
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0021
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Mycobacterium tuberculosis Conserved protein 0.0062 0.0219 0.0509
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Echinococcus granulosus heat shock protein 90 0.0029 0.0067 0.0491
Loa Loa (eye worm) transcription factor SMAD2 0.0106 0.0417 1
Schistosoma mansoni heat shock protein 0.0036 0.01 0.075
Brugia malayi AMP-binding enzyme family protein 0.002 0.0028 0.0674
Brugia malayi heat shock protein 90 0.0036 0.01 0.2394
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0219 0.6127
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0067 0.1783
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0028 0.0053
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0092 0.0355 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0034 0.0835
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0024 0.0154
Plasmodium falciparum endoplasmin, putative 0.0022 0.0037 0.0939
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0062 0.0219 0.525
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Echinococcus multilocularis endoplasmin 0.0029 0.0067 0.0062
Brugia malayi Endoplasmin precursor 0.0036 0.01 0.2394
Plasmodium falciparum heat shock protein 90 0.0036 0.01 0.2722
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0219 0.6127
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0571
Toxoplasma gondii heat shock protein 90, putative 0.0036 0.01 0.2722
Mycobacterium tuberculosis Probable lipase LipE 0.0062 0.0219 0.0509
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Plasmodium vivax acyl-CoA synthetase, putative 0.0015 0.0005 0.0025
Echinococcus multilocularis beta LACTamase domain containing family member 0.0062 0.0219 0.0215
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Mycobacterium ulcerans lipase LipD 0.0062 0.0219 0.0501
Loa Loa (eye worm) hypothetical protein 0.0041 0.0124 0.2887
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0062 0.0219 0.5198
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0092 0.0355 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.021 0.5021
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.002 0.0028 0.0053
Echinococcus multilocularis GPCR, family 2 0.0019 0.0024 0.002
Echinococcus multilocularis heat shock protein 90 0.0036 0.01 0.0095
Trypanosoma brucei heat shock protein 90, putative 0.0036 0.01 0.2722
Mycobacterium tuberculosis Probable lipase LipD 0.0062 0.0219 0.0509
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.021 0.5021
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.01 0.2722
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.002 0.0028 0.0053
Mycobacterium leprae Probable lipase LipE 0.0062 0.0219 0.045
Echinococcus granulosus endoplasmin 0.0029 0.0067 0.0491
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0708
Echinococcus multilocularis heat shock protein 0.0036 0.01 0.0095
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0961 0.4268 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0092 0.0355 1
Mycobacterium ulcerans esterase/lipase LipP 0.0062 0.0219 0.0501
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0092 0.0355 1
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0219 0.045
Plasmodium falciparum acyl-CoA synthetase 0.0015 0.0005 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0112 0.0842
Schistosoma mansoni endoplasmin 0.0036 0.01 0.075
Trichomonas vaginalis esterase, putative 0.0062 0.0219 0.6127
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0021
Giardia lamblia Heat shock protein HSP 90-alpha 0.0036 0.01 0.1143
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0112 0.0842
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0067 0.1783
Brugia malayi AMP-binding enzyme family protein 0.002 0.0028 0.0674
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0112 0.2591
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0092 0.0355 0.077
Schistosoma mansoni hypothetical protein 0.0297 0.1275 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0024 0.0154
Mycobacterium ulcerans hypothetical protein 0.002 0.0028 0.0053
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0028 0.0673
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0571
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0028 0.0053
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0029 0.0067 0.1783
Trypanosoma cruzi heat shock protein 90, putative 0.0021 0.0034 0.0832
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.021 0.4966
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Trypanosoma cruzi Heat shock protein 83, putative 0.0036 0.01 0.2722
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0112 0.0107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0219 0.1688
Trypanosoma brucei heat shock protein 90, putative 0.0036 0.01 0.2722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0112 0.0842
Echinococcus multilocularis proteasome (prosome, macropain) 0.0092 0.0355 0.035
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0092 0.0355 0.2755
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0112 0.0842
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0124 0.2965
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0028 0.0673
Entamoeba histolytica heat shock protein 90, putative 0.0036 0.01 0.2722
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0062 0.0219 0.0501
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0067 0.1783
Schistosoma mansoni hypothetical protein 0.0297 0.1275 1
Onchocerca volvulus 0.0062 0.0219 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0029 0.0067 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0021
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0067 0.1783
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0154
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0092 0.0355 1
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0154
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0092 0.0355 0.8483
Brugia malayi MH2 domain containing protein 0.0106 0.0417 1
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Brugia malayi AMP-binding enzyme family protein 0.002 0.0028 0.0674
Plasmodium falciparum proteasome subunit beta type-5 0.0092 0.0355 1
Mycobacterium ulcerans proteasome PrcA 0.0961 0.4268 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0092 0.0355 1
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0067 0.1783
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.01 0.2722
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0219 0.6127
Trypanosoma cruzi heat shock protein 90, putative 0.0036 0.01 0.2722
Mycobacterium tuberculosis Probable hydrolase 0.0062 0.0219 0.0509
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0112 0.0107
Brugia malayi beta-lactamase family protein 0.0062 0.0219 0.525
Brugia malayi beta-lactamase family protein 0.0062 0.0219 0.525
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0092 0.0355 1
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Toxoplasma gondii LsmAD domain-containing protein 0.0021 0.0034 0.0835
Loa Loa (eye worm) endoplasmin 0.0036 0.01 0.2309
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0028 0.0062
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0034 0.0835
Leishmania major proteasome beta 5 subunit, putative 0.0092 0.0355 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.002 0.0028 0.0673
Mycobacterium ulcerans hypothetical protein 0.0062 0.0219 0.0501
Trypanosoma brucei Heat shock protein 83, putative 0.0036 0.01 0.2722
Toxoplasma gondii heat shock protein HSP90 0.0036 0.01 0.2722
Mycobacterium tuberculosis Conserved protein 0.0062 0.0219 0.0509
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0219 0.6127
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0024 0.002
Trypanosoma brucei PAB1-binding protein , putative 0.0021 0.0034 0.0835
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Leishmania major hypothetical protein, conserved 0.0062 0.0219 0.6127
Echinococcus multilocularis geminin 0.0297 0.1275 0.1271
Entamoeba histolytica acyl-coA synthetase, putative 0.002 0.0028 0.0673
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Plasmodium vivax endoplasmin, putative 0.0036 0.01 0.2722
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0015 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0028 0.0571
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0961 0.4268 1
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Echinococcus granulosus proteasome prosome macropain 0.0092 0.0355 0.2755
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0029 0.0067 0.0092
Brugia malayi beta-lactamase 0.0062 0.0219 0.525
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Onchocerca volvulus 0.0062 0.0219 1
Schistosoma mansoni heat shock protein 0.0036 0.01 0.075
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0028 0.0053
Trichomonas vaginalis endoplasmin, putative 0.0022 0.0037 0.0939
Onchocerca volvulus 0.0062 0.0219 1
Schistosoma mansoni hypothetical protein 0.0041 0.0124 0.0938
Echinococcus granulosus beta LACTamase domain containing family member 0.0062 0.0219 0.1688
Mycobacterium ulcerans proteasome PrcB 0.0092 0.0355 0.0819
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0028 0.0673
Trypanosoma brucei heat shock protein, putative 0.0036 0.01 0.2722
Plasmodium vivax ataxin-2 like protein, putative 0.0021 0.0034 0.0835
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0062 0.0219 0.0509
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0034 0.0835
Brugia malayi Hsp90 protein 0.0015 0.0005 0.011
Loa Loa (eye worm) hypothetical protein 0.0062 0.0219 0.5198
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0092 0.0355 1
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0219 0.6127
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0398 0.1732 0.4055
Mycobacterium ulcerans heat shock protein 90 0.0029 0.0067 0.0144
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0024 0.058
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0029 0.0067 0.0153
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0015 0.0005 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0219 0.6127
Echinococcus granulosus geminin 0.0297 0.1275 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0062 0.0219 0.0509
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.002 0.0028 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0112 0.0842
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.01 0.2722
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0219 0.1688
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0475
Echinococcus multilocularis heat shock protein 90 0.0029 0.0067 0.0062
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0219 0.6127
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0062 0.0219 0.0509
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.002 0.0028 0.0053
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Treponema pallidum heat shock protein 90 0.0029 0.0067 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0024 0.058
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0154
Mycobacterium tuberculosis Probable esterase LipL 0.0062 0.0219 0.0509
Entamoeba histolytica acyl-CoA synthetase, putative 0.002 0.0028 0.0673
Mycobacterium ulcerans beta-lactamase 0.0062 0.0219 0.0501
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0024 0.0475
Loa Loa (eye worm) heat shock protein 90 0.0036 0.01 0.2309
Echinococcus granulosus GPCR family 2 0.0019 0.0024 0.0154
Entamoeba histolytica heat shock protein 90, putative 0.0036 0.01 0.2722
Loa Loa (eye worm) hypothetical protein 0.006 0.021 0.4966
Leishmania major heat shock protein 83-1 0.0036 0.01 0.2722
Brugia malayi hypothetical protein 0.0021 0.0034 0.081
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0219 0.6127
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0067 0.0491
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0028 0.0053
Brugia malayi Proteasome A-type and B-type family protein 0.0092 0.0355 0.85
Onchocerca volvulus 0.002 0.0028 0.1098
Leishmania major hypothetical protein, conserved 0.0021 0.0034 0.0835
Loa Loa (eye worm) MH2 domain-containing protein 0.0106 0.0417 1
Trichomonas vaginalis heat shock protein, putative 0.0022 0.0037 0.0939
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0219 0.6127
Echinococcus granulosus heat shock protein 90 0.0036 0.01 0.075

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) 18.526 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) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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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