Detailed information for compound 1594834

Basic information

Technical information
  • TDR Targets ID: 1594834
  • Name: ethyl 2-[(1-adamantyl-methylcarbamoyl)amino]p ropanoate
  • MW: 308.416 | Formula: C17H28N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(NC(=O)N(C12CC3CC(C2)CC(C1)C3)C)C
  • InChi: 1S/C17H28N2O3/c1-4-22-15(20)11(2)18-16(21)19(3)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,4-10H2,1-3H3,(H,18,21)
  • InChiKey: BQMZASIEUOBBES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[(1-adamantyl-methyl-carbamoyl)amino]propanoate
  • 2-[[(1-adamantyl-methylamino)-oxomethyl]amino]propanoic acid ethyl ester
  • 2-[(1-adamantyl-methyl-carbamoyl)amino]propionic acid ethyl ester
  • 33396-49-5
  • NCI60_001752
  • CC 9095
  • AIDS-127992
  • AIDS127992
  • NSC208913
  • Ethyl 2-(((1-adamantyl(methyl)amino)carbonyl)amino)propanoate
  • NSC 208913

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
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Brugia malayi prolyl oligopeptidase family protein 0.0172 0.1863 1
Leishmania major cathepsin L-like protease 0.0062 0.0453 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.0259 0.1514
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0057 0.038 0.5229
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0391 0.1573
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0369 0.0255
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0369 0.2037
Schistosoma mansoni organic anion transporter 0.0059 0.041 0.047
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0058 0.0396 0.8283
Leishmania major cathepsin L-like protease 0.0062 0.0453 1
Brugia malayi prostaglandin transporter 0.0059 0.041 0.168
Onchocerca volvulus Chorion peroxidase homolog 0.0078 0.0661 0.3414
Schistosoma mansoni peroxidasin 0.0078 0.0661 0.0871
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0369 0.2037
Onchocerca volvulus 0.0059 0.041 0.2041
Onchocerca volvulus 0.0059 0.041 0.2041
Loa Loa (eye worm) STAT protein 0.0153 0.1629 0.8719
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0117 0.0645
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0059 0.041 0.0297
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0302 0.1447
Onchocerca volvulus Peroxidase homolog 0.0078 0.0661 0.3414
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.2211 0.2119
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Echinococcus multilocularis follistatin 0.004 0.017 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1154 0.6115
Chlamydia trachomatis glycogen phosphorylase 0.0109 0.1055 0.5
Brugia malayi Common central domain of tyrosinase family protein 0.0089 0.0805 0.394
Echinococcus multilocularis chromobox protein 1 0.0068 0.0529 0.0417
Onchocerca volvulus Putative organic anion transporter 0.0059 0.041 0.2041
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Echinococcus granulosus geminin 0.0521 0.6359 1
Schistosoma mansoni follistatin 0.004 0.017 0.0085
Schistosoma mansoni glycogen phosphorylase 0.0109 0.1055 0.1503
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0369 0.1814
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0725
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0369 0.748
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0434
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0143 0.0793
Schistosoma mansoni tyrosinase precursor 0.0089 0.0805 0.1102
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0369 0.2037
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0369 0.748
Schistosoma mansoni chromobox protein 0.0068 0.0529 0.066
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0529 0.2922
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.1055 0.0949
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0369 0.748
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0453 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.041 0.168
Onchocerca volvulus Peroxidasin homolog 0.0078 0.0661 0.3414
Echinococcus granulosus Glycosyl transferase family 35 0.0109 0.1055 0.1503
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0725
Brugia malayi SPARC precursor 0.004 0.017 0.0304
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0369 0.2037
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0111 0.1081 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0181 0.0999
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0391 0.0278
Brugia malayi ShTK domain containing protein 0.0089 0.0805 0.394
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0032 0.0064 0.0568
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0661 0.3115
Echinococcus granulosus glycogen phosphorylase 0.0109 0.1055 0.1503
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Echinococcus multilocularis expressed protein 0.004 0.017 0.0054
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0369 0.0404
Brugia malayi MAP kinase sur-1 0.0056 0.0369 0.1442
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0453 1
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0302 0.0296
Loa Loa (eye worm) tyrosinase 1 0.0089 0.0805 0.4203
Loa Loa (eye worm) prolyl oligopeptidase 0.0172 0.1863 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0369 0.0255
Onchocerca volvulus 0.0089 0.0805 0.4203
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1154 0.6115
Onchocerca volvulus Dual oxidase homolog 0.0078 0.0661 0.3414
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.1055 1
Leishmania major cathepsin L-like protease 0.0062 0.0453 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0391 0.044
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0167 0.1809 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0529 0.2922
Schistosoma mansoni hypothetical protein 0.0521 0.6359 1
Onchocerca volvulus 0.0059 0.041 0.2041
Brugia malayi chromobox protein homolog 3 0.0038 0.0143 0.0154
Echinococcus granulosus neuropeptide s receptor 0.0507 0.6183 0.9719
Brugia malayi hypothetical protein 0.0044 0.022 0.0594
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0369 0.2684
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.041 0.168
Brugia malayi MH2 domain containing protein 0.0117 0.1154 0.5939
Onchocerca volvulus 0.005 0.0302 0.1447
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0172 0.1863 1
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0453 1
Brugia malayi mbt repeat family protein 0.005 0.0302 0.1059
Onchocerca volvulus Putative organic anion transporter 0.0059 0.041 0.2041
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0058 0.0396 0.0282
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.1055 0.5833
Brugia malayi prolyl oligopeptidase family protein 0.0058 0.0396 0.1597
Schistosoma mansoni chromobox protein 0.0068 0.0529 0.066
Loa Loa (eye worm) hypothetical protein 0.0038 0.0143 0.0581
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0661 0.3115
Brugia malayi Peroxidasin 0.0078 0.0661 0.3115
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0059 0.041 0.0297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0661 0.3115
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.0805 0.394
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0369 0.0853
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.0805 0.394
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0391 0.044
Brugia malayi Heterochromatin protein 1 0.0068 0.0529 0.2359
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0302 0.0187
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0259 0.1514
Echinococcus multilocularis peroxidasin 0.0078 0.0661 0.055
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.017 0.0304
Echinococcus granulosus chromobox protein 1 0.0068 0.0529 0.066
Loa Loa (eye worm) hypothetical protein 0.0057 0.0391 0.1939
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0725
Echinococcus granulosus Dipeptidyl peptidase 9 0.0058 0.0396 0.0447
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.2211 0.3355
Brugia malayi Blistered cuticle protein 3 0.0078 0.0661 0.3115
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0661 0.3414
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0302 0.0296
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0167 0.1809 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0057 0.038 0.3502
Onchocerca volvulus 0.0089 0.0805 0.4203
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0143 0.0793
Onchocerca volvulus 0.0078 0.0661 0.3414
Schistosoma mansoni tyrosinase precursor 0.0089 0.0805 0.1102
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.017 0.0304
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0032 0.0064 0.0568
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0058 0.0396 0.8283
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0089 0.0805 0.394
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0302 0.0187
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0661 0.3414
Loa Loa (eye worm) glycogen phosphorylase 0.0109 0.1055 0.5574
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.1055 0.0949
Schistosoma mansoni hypothetical protein 0.0306 0.36 0.558
Schistosoma mansoni organic anion transporter 0.0059 0.041 0.047
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0172 0.1863 0.2798
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0079 0.0669 0.618
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0302 0.0296
Echinococcus granulosus chromobox protein 1 0.0068 0.0529 0.066
Loa Loa (eye worm) agrin synaptic family protein 0.004 0.017 0.0725
Brugia malayi hypothetical protein 0.0059 0.041 0.168
Onchocerca volvulus 0.0089 0.0805 0.4203
Onchocerca volvulus 0.004 0.017 0.0725
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0259 0.1514
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0221 0.2502 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0057 0.038 0.3502
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.004 0.017 0.0725
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0058 0.0396 0.8283
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0369 0.748
Onchocerca volvulus Peroxidasin homolog 0.0078 0.0661 0.3414
Echinococcus multilocularis neuropeptide s receptor 0.0507 0.6183 0.6138
Onchocerca volvulus Putative organic anion transporter 0.0059 0.041 0.2041
Trypanosoma cruzi MFS transporter, putative 0.0059 0.041 0.8714
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.0805 0.4203
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0059 0.041 0.047
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0181 0.0786
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0391 0.0278
Echinococcus multilocularis neuropeptide receptor A26 0.0507 0.6183 0.6138
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0181 0.0999
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0453 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0079 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Echinococcus granulosus agrin 0.004 0.017 0.0085
Brugia malayi STAT protein, DNA binding domain containing protein 0.0153 0.1629 0.8661
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.0805 0.4203
Echinococcus granulosus neuropeptide receptor A26 0.0507 0.6183 0.9719
Loa Loa (eye worm) blistered cuticle protein 3 0.0078 0.0661 0.3414
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Onchocerca volvulus Glycogen phosphorylase homolog 0.0109 0.1055 0.5574
Onchocerca volvulus 0.0059 0.041 0.2041
Brugia malayi mbt repeat family protein 0.005 0.0302 0.1059
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0661 0.3414
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0661 0.3115
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0725
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.0805 0.394
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0058 0.0396 0.0447
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0059 0.041 0.2041
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0143 0.0581
Brugia malayi secreted modular calcium-binding protein 1 0.004 0.017 0.0304
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0302 0.0296
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0172 0.1863 0.2798
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0369 0.748
Loa Loa (eye worm) hypothetical protein 0.0044 0.022 0.1002
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.1055 0.5833
Loa Loa (eye worm) hypothetical protein 0.0089 0.0805 0.4203
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.1055 1
Trypanosoma brucei protein kinase, putative 0.0056 0.0369 0.748
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0117 0.0645
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0661 0.3115
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0369 0.748
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0079 0.0669 0.618
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0302 0.0296
Schistosoma mansoni peroxidasin 0.0078 0.0661 0.0871
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Giardia lamblia Glycogen phosphorylase 0.0109 0.1055 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0661 0.3414
Onchocerca volvulus 0.0078 0.0661 0.3414
Schistosoma mansoni agrin 0.004 0.017 0.0085
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.017 0.0304
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0302 0.1447
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.005 0.0291 0.2678
Brugia malayi carbohydrate phosphorylase 0.0109 0.1055 0.5373
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0384 0.7936
Onchocerca volvulus Peroxidase homolog 0.0078 0.0661 0.3414
Echinococcus granulosus follistatin 0.004 0.017 0.0085
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0369 0.748
Treponema pallidum hypothetical protein 0.0027 0.0003 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0109 0.1055 0.0949
Echinococcus multilocularis chromobox protein 1 0.0068 0.0529 0.0417
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0302 0.1447
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0391 0.044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Onchocerca volvulus 0.0089 0.0805 0.4203
Schistosoma mansoni glycogen phosphorylase 0.0109 0.1055 0.1503
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0172 0.1863 0.1767
Echinococcus granulosus peroxidasin 0.0078 0.0661 0.0871
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0529 0.269
Onchocerca volvulus 0.0078 0.0661 0.3414
Brugia malayi hypothetical protein 0.0059 0.041 0.168
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0058 0.0396 0.8283
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.0259 0.2374
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.0259 0.3219
Echinococcus granulosus Solute carrier organic anion transporter family 0.0059 0.041 0.047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1
Echinococcus multilocularis agrin 0.004 0.017 0.0054
Toxoplasma gondii transporter, major facilitator family protein 0.0059 0.041 0.1031
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0058 0.0396 0.8283
Onchocerca volvulus 0.0059 0.041 0.2041
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0117 0.0645
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0282 0.4908
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Echinococcus multilocularis geminin 0.0521 0.6359 0.6316
Brugia malayi hypothetical protein 0.0078 0.0661 0.3115
Schistosoma mansoni hypothetical protein 0.0521 0.6359 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.017 0.0304
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0058 0.0396 0.0969
Loa Loa (eye worm) MBCTL1 0.0057 0.0391 0.1939
Echinococcus granulosus glycogen phosphorylase 0.0109 0.1055 0.1503
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0369 0.0404
Loa Loa (eye worm) hypothetical protein 0.0078 0.0661 0.3414
Loa Loa (eye worm) hypothetical protein 0.0089 0.0805 0.4203
Schistosoma mansoni glycogen phosphorylase 0.0047 0.0259 0.0228
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.041 0.168
Loa Loa (eye worm) hypothetical protein 0.0059 0.041 0.2041
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0369 0.0404
Trichomonas vaginalis aldehyde oxidase, putative 0.0167 0.1809 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0453 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.685 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.282 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.014 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.954 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.756 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.734 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.713 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.463 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -3.415 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) 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

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