Detailed information for compound 434112

Basic information

Technical information
  • TDR Targets ID: 434112
  • Name: (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino ]-5-methylhexanoic acid
  • MW: 230.304 | Formula: C11H22N2O3
  • H donors: 3 H acceptors: 3 LogP: -1.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC[C@@H](C(=O)N[C@H](CC(=O)O)CC(C)C)C
  • InChi: 1S/C11H22N2O3/c1-7(2)4-9(5-10(14)15)13-11(16)8(3)6-12/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
  • InChiKey: FGRYLRZBYRVTPI-IUCAKERBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-3-[[(2S)-3-amino-2-methyl-propanoyl]amino]-5-methyl-hexanoic acid
  • (3S)-3-[[(2S)-3-amino-2-methyl-1-oxopropyl]amino]-5-methylhexanoic acid
  • (3S)-3-[[(2S)-3-azanyl-2-methyl-propanoyl]amino]-5-methyl-hexanoic acid

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) beta-LACTamase domain containing family member 0.0037 0.102 0.102
Onchocerca volvulus 0.0017 0.0229 0.035
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0384 0.0384
Schistosoma mansoni glutaminase 0.0264 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0229 0.0423
Onchocerca volvulus 0.0017 0.0229 0.035
Treponema pallidum NADH oxidase 0.0013 0.0098 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Onchocerca volvulus 0.0037 0.102 0.162
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0384 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Plasmodium falciparum glutathione reductase 0.0039 0.1093 0.9521
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0229 0.0423
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Toxoplasma gondii ABC1 family protein 0.0037 0.102 0.7757
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0384 0.0384
Toxoplasma gondii cathepsin CPL 0.0017 0.0229 0.1103
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.102 0.102
Echinococcus multilocularis tar DNA binding protein 0.0129 0.4671 0.8641
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.102 0.102
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.102 0.101
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0384 0.0384
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Mycobacterium tuberculosis Conserved protein 0.0037 0.102 0.1056
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.102 0.1945
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0384 0.071
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4671 0.4671
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0229 0.1924
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0384 0.0384
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0229 0.0218
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0229 0.0423
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.5405 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0384 0.0384
Toxoplasma gondii thioredoxin reductase 0.0039 0.1093 0.8375
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0384 0.0384
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.102 0.102
Mycobacterium ulcerans glutaminase 0.0264 1 1
Brugia malayi cathepsin L-like precursor 0.0011 0.0011 0.0011
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0384 0.0384
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0384 0.0384
Brugia malayi ecdysteroid receptor 0.0021 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Brugia malayi nuclear receptor NHR-88 0.0021 0.0384 0.0384
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.084 0.084
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.1862 0.8901
Loa Loa (eye worm) hypothetical protein 0.0069 0.2314 0.2314
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Leishmania major cathepsin L-like protease 0.0017 0.0229 0.0661
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.102 0.101
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0229 0.1254
Mycobacterium ulcerans hypothetical protein 0.0037 0.102 0.0931
Onchocerca volvulus 0.0037 0.102 0.162
Loa Loa (eye worm) cysteine protease 0.0017 0.0229 0.0229
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.5242 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0384 0.0384
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0384 0.071
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Brugia malayi RNA binding protein 0.0129 0.4671 0.4671
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.102 0.0931
Echinococcus granulosus tar DNA binding protein 0.0129 0.4671 0.8911
Leishmania major cathepsin L-like protease 0.0017 0.0229 0.0661
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0229 0.0437
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.084 0.084
Brugia malayi beta-lactamase family protein 0.0037 0.102 0.102
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0098 0.0087
Loa Loa (eye worm) beta-lactamase 0.0037 0.102 0.102
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1143 1
Leishmania major trypanothione reductase 0.0039 0.1093 0.502
Plasmodium vivax vivapain-2 0.0017 0.0229 0.1103
Leishmania major cathepsin L-like protease 0.0017 0.0229 0.0661
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.8831 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0384 0.0732
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.3432 0.3818
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.102 0.465
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0384 0.071
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Onchocerca volvulus Glucosylceramidase homolog 0.0169 0.6237 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0384 0.0384
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.084 0.1554
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.5405 0.5405
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0384 0.0384
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.084 0.084
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.1093 0.8375
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1286 1
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0011 0.0011
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.102 0.1056
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0229 0.035
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0384 0.0384
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0229 0.0423
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.102 0.465
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4671 0.4671
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0384 0.0384
Loa Loa (eye worm) TAR-binding protein 0.0129 0.4671 0.4671
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Plasmodium vivax glutathione reductase, putative 0.0039 0.1093 0.8375
Onchocerca volvulus 0.0017 0.0229 0.035
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Schistosoma mansoni hypothetical protein 0.0032 0.084 0.084
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0384 0.0384
Schistosoma mansoni hypothetical protein 0.0069 0.2314 0.2314
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0098 0.0181
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.208 1
Brugia malayi beta-lactamase 0.0037 0.102 0.102
Onchocerca volvulus 0.0017 0.0229 0.035
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4671 0.4671
Mycobacterium ulcerans lipase LipD 0.0037 0.102 0.0931
Loa Loa (eye worm) hypothetical protein 0.0011 0.0011 0.0011
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0098 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0098 0.3432 0.3818
Plasmodium vivax vivapain-2 0.0017 0.0229 0.1103
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1286 0.1276
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0384 0.071
Loa Loa (eye worm) glutaminase 0.0264 1 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0384 0.0384
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1286 0.2454
Loa Loa (eye worm) hypothetical protein 0.0017 0.0229 0.0229
Leishmania major cathepsin L-like protease 0.0064 0.208 1
Brugia malayi MH2 domain containing protein 0.0122 0.4377 0.4377
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0229 0.0661
Brugia malayi Thioredoxin reductase 0.0039 0.1093 0.1093
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0384 0.0732
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.3044 0.3374
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0384 0.0384
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0229 0.035
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.1543 0.729
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.084 0.1603
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0384 0.071
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0098 0.3432 0.3818
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0384 0.0732
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.3584 0.3584
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.102 0.101
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.084 0.1603
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.5405 0.5405
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0384 0.0384
Schistosoma mansoni hypothetical protein 0.0032 0.084 0.084
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0229 0.0229
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1143 1
Loa Loa (eye worm) ctsf protein 0.0017 0.0229 0.0229
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.102 0.1056
Leishmania major hypothetical protein, conserved 0.0037 0.102 0.465
Brugia malayi glutathione reductase 0.0039 0.1093 0.1093
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6596 0.6592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0384 0.0384
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0384 0.0384
Brugia malayi Cathepsin L-like precursor 0.0011 0.0011 0.0011
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Schistosoma mansoni hypothetical protein 0.0032 0.084 0.084
Mycobacterium tuberculosis Conserved protein 0.0037 0.102 0.1056
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.3584 0.3584
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.3044 0.3374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0257 0.9731 0.9731
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.102 0.0931
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4671 0.4671
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0384 0.0384
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.102 0.101
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0384 0.0384
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.3584 0.3584
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0011 0.0011
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0098 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0384 0.0384
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.4671 0.4671
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.084 0.1554
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0098 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0384 0.0384
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.102 0.1886
Onchocerca volvulus 0.0017 0.0229 0.035
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.102 0.465
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.2314 0.2314
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0384 0.0732
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0384 0.071
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0098 0.0098
Onchocerca volvulus 0.0037 0.102 0.162
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0384 0.0384
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0229 0.1254
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1286 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0384 0.0732
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.1093 0.502
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.3044 0.3374
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.1093 0.114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0229 0.035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Echinococcus multilocularis GPCR, family 2 0.0032 0.084 0.1554
Loa Loa (eye worm) RNA binding protein 0.0129 0.4671 0.4671
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Brugia malayi nuclear hormone receptor 0.0021 0.0384 0.0384
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6596 0.6592
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0229 0.0229
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.3044 0.3374
Leishmania major cathepsin L-like protease 0.0017 0.0229 0.0661
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.102 0.1056
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0384 0.071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0384 0.0384
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.4671 0.4671
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Echinococcus granulosus GPCR family 2 0.0032 0.084 0.1603
Trichomonas vaginalis glutaminase, putative 0.0264 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0384 0.0384
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0229 0.0229
Onchocerca volvulus 0.0021 0.0384 0.0599
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Brugia malayi TAR-binding protein 0.0129 0.4671 0.4671
Echinococcus multilocularis cysteine protease 0.0017 0.0229 0.0423
Entamoeba histolytica cysteine protease, putative 0.0017 0.0229 0.1924
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0229 0.0437
Schistosoma mansoni hypothetical protein 0.0032 0.084 0.084
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.102 0.1056
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.3044 0.3374
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0384 0.0384
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1286 1
Onchocerca volvulus 0.0017 0.0229 0.035
Loa Loa (eye worm) acetyltransferase 0.0148 0.5405 0.5405
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0384 0.0384
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0098 0.0087
Plasmodium falciparum thioredoxin reductase 0.0039 0.1093 0.9521
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0384 0.0384
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0384 0.0384
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0088 0.3044 0.8393
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0098 0.3432 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.208 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0229 0.0229
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.102 0.101
Echinococcus multilocularis cysteine protease 0.0017 0.0229 0.0423
Loa Loa (eye worm) hypothetical protein 0.0037 0.102 0.102
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1286 0.1276
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.1113 0.2124
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0384 0.0384
Mycobacterium ulcerans beta-lactamase 0.0037 0.102 0.0931
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.1093 0.1093
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0384 0.0384
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0098 0.0098
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.102 0.1056
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0229 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0384
Brugia malayi Cathepsin L-like precursor 0.0017 0.0229 0.0229
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0384 0.0599
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.102 0.1056
Echinococcus granulosus cathepsin l1 0.0011 0.0011 0.0021
Brugia malayi Latrophilin receptor protein 2 0.0032 0.084 0.084
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.102 0.1056
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.1113 0.206
Leishmania major cathepsin L-like protease 0.0017 0.0229 0.0661
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0384 0.0732
Echinococcus granulosus cathepsin l1 0.0017 0.0229 0.0437
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0229 0.1924
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.4377 0.4377
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0257 0.9731 0.9731
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0384 0.071
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.208 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.4377 0.4377
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.208 1
Trypanosoma brucei trypanothione reductase 0.0039 0.1093 0.502
Brugia malayi steroid hormone receptor 0.0021 0.0384 0.0384
Loa Loa (eye worm) fibroinase 0.0017 0.0229 0.0229
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0098 0.0187
Leishmania major cathepsin L-like protease 0.0064 0.208 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.4671 0.4671
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0229 0.1254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Loa Loa (eye worm) glutathione reductase 0.0039 0.1093 0.1093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0229 0.0218
Trichomonas vaginalis esterase, putative 0.0037 0.102 0.101
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Brugia malayi beta-lactamase family protein 0.0037 0.102 0.102
Trichomonas vaginalis glucosylceramidase, putative 0.0257 0.9731 0.9731
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0384 0.0732
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0384 0.0384
Brugia malayi Cathepsin L-like precursor 0.0011 0.0011 0.0011
Mycobacterium tuberculosis Conserved protein 0.0037 0.102 0.1056
Onchocerca volvulus 0.0017 0.0229 0.035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0229 0.0218
Schistosoma mansoni coup transcription factor 0.0021 0.0384 0.0384
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0384 0.071
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6237 0.6233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0384 0.0384
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.208 1
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0229 0.0661
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0384 0.0732
Plasmodium vivax hypothetical protein, conserved 0.0037 0.102 0.7757
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0384 0.0599
Leishmania major cathepsin L-like protease 0.0064 0.208 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.3584 0.3584
Loa Loa (eye worm) glutaminase 2 0.0264 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0384 0.0384
Mycobacterium tuberculosis Probable reductase 0.0088 0.3044 0.3374
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1143 1
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0384 0.0732

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of [3H]GlySar uptake at human PepT1 in Caco2 cells ChEMBL. 17887660
Activity (binding) 0 Inhibition of [3H]GlySar uptake at human PepT1 in Caco2 cells ChEMBL. 17887660
Papp (ADMET) = 5.5 10^-8cm/s Apparent permeability from apical to basolateral side of human Caco2 cells in presence of 5 mM GlySar ChEMBL. 17887660
Papp (ADMET) = 5.5 10^-8cm/s Apparent permeability from apical to basolateral side of human Caco2 cells in presence of 5 mM GlySar ChEMBL. 17887660
Papp (ADMET) = 8.4 10^-8cm/s Apparent permeability from basolateral to apical side of human Caco2 cells ChEMBL. 17887660
Papp (ADMET) = 8.4 10^-8cm/s Apparent permeability from basolateral to apical side of human Caco2 cells ChEMBL. 17887660
Papp (ADMET) = 9.5 10^-8cm/s Apparent permeability from apical to basolateral side of human Caco2 cells ChEMBL. 17887660
Papp (ADMET) = 9.5 10^-8cm/s Apparent permeability from apical to basolateral side of human Caco2 cells ChEMBL. 17887660

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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