Detailed information for compound 22700

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.325 | Formula: C16H17N3O2
  • H donors: 2 H acceptors: 3 LogP: 1.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C/N=C/1\C(=C(\C1=N/C(C)(C)C)O)O
  • InChi: 1S/C16H17N3O2/c1-16(2,3)19-13-12(14(20)15(13)21)18-9-11-6-4-10(8-17)5-7-11/h4-7,20-21H,9H2,1-3H3/b18-12-,19-13-
  • InChiKey: WBRIZOLLIFHSTP-BKHHGCLFSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 DNA polymerase beta thumb, putative 0.0045 0.0273 0.0556
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0091 0.0844 0.172
Echinococcus granulosus transient receptor potential ion channel A 0.0104 0.1008 0.1243
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.009 0.009
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.3375 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1614 0.3289
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0013 0.0022
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0058 0.0429 0.0874
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0163 0.056
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0163 0.0201
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3375 1
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1498 0.5154
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0256 0.2906 0.3584
Leishmania major hypothetical protein, conserved 0.0025 0.0013 0.0016
Leishmania major hypothetical protein, conserved 0.0037 0.0163 0.0201
Mycobacterium tuberculosis Conserved protein 0.0037 0.0163 0.056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Leishmania major acetyl-CoA carboxylase, putative 0.0672 0.8108 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0091 0.0844 0.2905
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2626 0.9035
Loa Loa (eye worm) hypothetical protein 0.0067 0.0542 0.0694
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0465 0.5527 1
Onchocerca volvulus 0.0054 0.0375 0.0396
Mycobacterium ulcerans beta-lactamase 0.0037 0.0163 0.056
Brugia malayi hypothetical protein 0.0309 0.3565 0.4562
Onchocerca volvulus Glucosylceramidase homolog 0.0331 0.3841 0.6857
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.019 0.2077 0.3567
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0672 0.8108 1
Echinococcus granulosus transient receptor potential gamma protein 0.0108 0.1053 0.1298
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Loa Loa (eye worm) hypothetical protein 0.0068 0.0552 0.0706
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3375 1
Brugia malayi hypothetical protein 0.0025 0.0013 0.0016
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.0542 0.0542
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0091 0.0844 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0091 0.0844 0.172
Schistosoma mansoni transient receptor potential channel 0.0108 0.1053 0.1298
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.009 0.0115
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0207 0.0265
Toxoplasma gondii carbamoylphosphate synthetase 0.0058 0.0429 0.0529
Loa Loa (eye worm) carboxylesterase 0.0067 0.0542 0.0694
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.009 0.0115
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0091 0.0844 0.2905
Mycobacterium tuberculosis Conserved hypothetical protein 0.017 0.183 0.6296
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0542 0.0669
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0256 0.2906 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0097 0.092 0.1177
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0013 0.0022
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0058 0.0429 0.0742
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0163 0.056
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0322 0.3738 0.461
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.0597 0.0597
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0163 0.056
Schistosoma mansoni aspartate carbamoyltransferase 0.0058 0.0429 0.0529
Plasmodium falciparum carbamoyl phosphate synthetase 0.0058 0.0429 0.0742
Echinococcus granulosus ceramide glucosyltransferase 0.0465 0.5527 0.6817
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.019 0.2084 0.2668
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0163 0.0332
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0504 0.6008 0.769
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0058 0.0429 0.0529
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0163 0.0281
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.4064 0.6673
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0013 0.0026
Brugia malayi N-terminal motif family protein 0.019 0.2077 0.2658
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0256 0.2906 0.3584
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Schistosoma mansoni hypothetical protein 0.0031 0.009 0.0111
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0163 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0058 0.0429 0.0874
Mycobacterium ulcerans pyruvate carboxylase 0.0256 0.2906 1
Trichomonas vaginalis glucosylceramidase, putative 0.0348 0.4064 0.6673
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.019 0.2084 0.2571
Loa Loa (eye worm) hypothetical protein 0.0025 0.0013 0.0016
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0256 0.2906 0.3584
Echinococcus granulosus non lysosomal glucosylceramidase 0.0406 0.4785 0.5902
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0013 0.0016
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0091 0.0844 0.1041
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0536 0.0685
Schistosoma mansoni transient receptor potential channel 0.0071 0.0597 0.0736
Leishmania major mitochondrial DNA polymerase beta 0.0322 0.3738 0.461
Brugia malayi Transient-receptor-potential like protein 0.004 0.0207 0.0265
Schistosoma mansoni hypothetical protein 0.0054 0.0375 0.0463
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0163 0.056
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0256 0.2906 0.3584
Echinococcus granulosus GPCR family 2 0.0031 0.009 0.0111
Mycobacterium ulcerans hypothetical protein 0.0037 0.0163 0.056
Trypanosoma brucei acetyl-CoA carboxylase 0.0672 0.8108 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.2987 0.3823
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0091 0.0844 0.1041
Schistosoma mansoni pyruvate carboxylase 0.0256 0.2906 0.3584
Schistosoma mansoni hypothetical protein 0.0165 0.1771 0.2184
Echinococcus granulosus acetylcholinesterase 0.0067 0.0542 0.0669
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1498 0.5154
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0091 0.0844 0.2905
Schistosoma mansoni bile acid beta-glucosidase-related 0.0406 0.4785 0.5902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.0542 0.0694
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0058 0.0429 0.0529
Loa Loa (eye worm) beta-lactamase 0.0037 0.0163 0.0208
Leishmania major carboxylase, putative 0.0256 0.2906 0.3584
Brugia malayi Carboxylesterase family protein 0.0067 0.0542 0.0694
Schistosoma mansoni hypothetical protein 0.0031 0.009 0.0111
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0091 0.0844 0.2905
Loa Loa (eye worm) hypothetical protein 0.019 0.2077 0.2658
Loa Loa (eye worm) hypothetical protein 0.0067 0.0542 0.0694
Brugia malayi beta-lactamase family protein 0.0037 0.0163 0.0208
Schistosoma mansoni hypothetical protein 0.0031 0.009 0.0111
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0256 0.2906 1
Schistosoma mansoni hypothetical protein 0.0031 0.009 0.0111
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0163 0.056
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0091 0.0844 0.2905
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0163 0.0201
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0091 0.0844 0.1041
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0256 0.2906 0.2906
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.0597 0.0736
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0256 0.2906 0.5922
Brugia malayi hypothetical protein 0.0262 0.2987 0.3823
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0256 0.2906 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0273 0.0556
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0486 0.5786 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0416 0.4908 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Schistosoma mansoni transient receptor potential channel 0.0071 0.0597 0.0736
Toxoplasma gondii hypothetical protein 0.0052 0.0356 0.0439
Mycobacterium tuberculosis Conserved protein 0.0037 0.0163 0.056
Mycobacterium leprae Probable lipase LipE 0.0037 0.0163 0.056
Echinococcus multilocularis bile acid beta glucosidase 0.0406 0.4785 0.4785
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.3375 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0091 0.0844 0.2905
Brugia malayi Carboxylesterase family protein 0.0067 0.0542 0.0694
Schistosoma mansoni acetyl-CoA carboxylase 0.0672 0.8108 1
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0163 0.0208
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0322 0.3738 0.7617
Echinococcus granulosus acetylcholinesterase 0.0067 0.0542 0.0669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.2084 0.2571
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0091 0.0844 0.2905
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0672 0.8108 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0058 0.0429 0.0529
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0091 0.0844 0.172
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.0597 0.0597
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0163 0.056
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0163 0.056
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0091 0.0844 0.1041
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0091 0.0844 0.1041
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0163 0.056
Brugia malayi beta-lactamase 0.0037 0.0163 0.0208
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.009 0.0111
Brugia malayi Ceramide glucosyltransferase 0.0465 0.5527 0.7074
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0256 0.2906 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.2084 0.2571
Schistosoma mansoni ceramide glucosyltransferase 0.0465 0.5527 0.6817
Loa Loa (eye worm) ceramide glucosyltransferase 0.0465 0.5527 0.7074
Schistosoma mansoni hypothetical protein 0.0165 0.1771 0.2184
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0322 0.3738 0.7617
Echinococcus granulosus TRP transient receptor potential channel 0.004 0.0207 0.0255
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0256 0.2906 1
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0091 0.0844 0.3233
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0013 0.0026
Echinococcus multilocularis acetylcholinesterase 0.0067 0.0542 0.0542
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.009 0.0111
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0397 0.0808
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0256 0.2906 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.019 0.2084 0.2571
Loa Loa (eye worm) hypothetical protein 0.0108 0.1053 0.1347
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0672 0.8108 0.8108
Loa Loa (eye worm) hypothetical protein 0.0031 0.009 0.0115
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0163 0.056
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0091 0.0844 0.2905
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1614 0.1991
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Loa Loa (eye worm) hypothetical protein 0.0274 0.3135 0.4012
Echinococcus multilocularis transient receptor potential ion channel A 0.0104 0.1008 0.1008
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0208
Schistosoma mansoni ceramide glucosyltransferase 0.0465 0.5527 0.6817
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.092 0.1177
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0256 0.2906 0.3584
Onchocerca volvulus 0.0309 0.3565 0.6341
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0013 0.0022
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0153 0.1614 0.1991
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.2084 0.2571
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0256 0.2906 1
Echinococcus granulosus carboxylesterase 5A 0.0067 0.0542 0.0669
Leishmania major carbamoyl-phosphate synthase, putative 0.0058 0.0429 0.0529
Brugia malayi Carboxyl transferase domain containing protein 0.0648 0.7814 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0091 0.0844 0.2905
Brugia malayi Latrophilin receptor protein 2 0.0031 0.009 0.0115
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0091 0.0844 0.2905
Mycobacterium ulcerans hypothetical protein 0.017 0.183 0.6296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.2987 0.3685
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0504 0.6008 0.769
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1498 0.5154
Loa Loa (eye worm) hypothetical protein 0.0036 0.0162 0.0207
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0058 0.0429 0.1476
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0648 0.7814 1
Echinococcus multilocularis acetylcholinesterase 0.0067 0.0542 0.0542
Echinococcus multilocularis transient receptor potential gamma protein 0.0108 0.1053 0.1053
Echinococcus multilocularis geminin 0.0165 0.1771 0.1771
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.2987 0.2987
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0163 0.0208
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0256 0.2906 0.3584
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Echinococcus granulosus geminin 0.0165 0.1771 0.2184
Loa Loa (eye worm) hypothetical protein 0.0309 0.3565 0.4562
Chlamydia trachomatis biotin carboxylase 0.0232 0.2612 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.092 0.1177
Trichomonas vaginalis glucosylceramidase, putative 0.0504 0.6008 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0375 0.048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.092 0.1177
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.019 0.2084 0.2668
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0672 0.8108 1
Schistosoma mansoni hypothetical protein 0.0066 0.0536 0.0661
Echinococcus multilocularis ceramide glucosyltransferase 0.0465 0.5527 0.5527
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0406 0.4785 0.4785
Toxoplasma gondii pyruvate carboxylase 0.0256 0.2906 0.3584
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0163 0.0332
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0163 0.056
Giardia lamblia Ceramide glucosyltransferase 0.0211 0.2345 0.5395
Schistosoma mansoni survival motor neuron protein 0.0054 0.0375 0.0463
Echinococcus multilocularis TRP (transient receptor potential) channel 0.004 0.0207 0.0207
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3375 0.5494
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0091 0.0844 0.2905
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0058 0.0429 0.1476
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0273 0.0556
Toxoplasma gondii ABC1 family protein 0.0037 0.0163 0.0201
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.0597 0.0736
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0163 0.0201
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0486 0.5786 1
Trypanosoma brucei unspecified product 0.0168 0.181 0.2232
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0273 0.0336
Loa Loa (eye worm) hypothetical protein 0.0066 0.0536 0.0685
Trichomonas vaginalis glucosylceramidase, putative 0.0331 0.3841 0.6292
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0091 0.0844 0.0844
Schistosoma mansoni transient receptor potential channel 4 0.0108 0.1053 0.1298
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0163 0.0201
Mycobacterium ulcerans lipase LipD 0.0037 0.0163 0.056
Brugia malayi beta-lactamase family protein 0.0037 0.0163 0.0208
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0256 0.2906 0.5922
Schistosoma mansoni bile acid beta-glucosidase-related 0.0406 0.4785 0.5902
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.019 0.2084 0.2084
Echinococcus granulosus bile acid beta glucosidase 0.0406 0.4785 0.5902
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0091 0.0844 0.1041
Mycobacterium tuberculosis Conserved protein 0.0037 0.0163 0.056
Echinococcus multilocularis GPCR, family 2 0.0031 0.009 0.009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.019 0.2084 0.2084

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -52 % The percent change in the frequency of spontaneous bladder contractions after oral administration of a dose of 3 mg/kg in rat hypertrophic bladder model ChEMBL. 10737753
ED50 (functional) = 3 mg kg-1 Compound was evaluated in vivo for the effective dose that cause a 50% reduction in frequency of spontaneous bladder contraction in the rat hypertrophied model after oral administration ChEMBL. 10737753
IC50 (functional) = 0.27 uM In vitro inhibitory concentration that relaxed KCL induced contraction in rat detrusor strip by 50% ChEMBL. 10737753

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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