Detailed information for compound 1079166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.603 | Formula: C15H29N3O4S3
  • H donors: 4 H acceptors: 4 LogP: -1.59 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCC[C@@H](C(=O)N[C@H](C(=O)O)CCSC)NC(=O)[C@@H](CCSC)N
  • InChi: 1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11+,12+/m1/s1
  • InChiKey: VWWGEKCAPBMIFE-WOPDTQHZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 15 (oligopeptide transporter), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans second version of peptide transport protein more similar to S. cerevisiae PTR2 Get druggable targets OG5_126717 All targets in OG5_126717
Loa Loa (eye worm) POT family protein Get druggable targets OG5_126717 All targets in OG5_126717
Brugia malayi POT family protein Get druggable targets OG5_126717 All targets in OG5_126717
Candida albicans second version of peptide transport protein more similar to S. cerevisiae PTR2 Get druggable targets OG5_126717 All targets in OG5_126717
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
Plasmodium vivax SET domain protein, putative 0.0033 0.0239 0.4391
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0101 0.0101
Schistosoma mansoni glutamate receptor kainate 0.0149 0.1517 0.2153
Schistosoma mansoni hypothetical protein 0.0022 0.0111 0.0158
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.236 0.236
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0076 0.0716 0.0716
Schistosoma mansoni ap endonuclease 0.0021 0.0104 0.0147
Brugia malayi nuclear hormone receptor 0.0021 0.0101 0.0101
Brugia malayi mbt repeat family protein 0.0102 0.0998 0.0998
Trypanosoma brucei ISWI complex protein 0.0016 0.0049 0.0907
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0101 0.0101
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0295 0.171
Schistosoma mansoni hypothetical protein 0.0648 0.7046 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0044 0.0355 0.0355
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1465 0.2079
Schistosoma mansoni glutamate receptor NMDA 0.0149 0.1517 0.2153
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0239 0.4391
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0102 0.0998 0.335
Loa Loa (eye worm) hypothetical protein 0.0116 0.1154 0.1154
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0237 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.028 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0367 0.0367
Brugia malayi mbt repeat family protein 0.0102 0.0998 0.0998
Entamoeba histolytica hypothetical protein 0.0076 0.0716 0.4156
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0582 0.0826
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0044 0.0355 0.4955
Schistosoma mansoni hypothetical protein 0.0168 0.1731 0.2457
Brugia malayi ecdysteroid receptor 0.0021 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0102 0.0998 0.0998
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.007 0.0099
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.028 0.1623
Schistosoma mansoni glutamate receptor AMPA 0.0149 0.1517 0.2153
Loa Loa (eye worm) hypothetical protein 0.0061 0.0545 0.0545
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.1467 0.1467
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0101 0.0101
Brugia malayi Pre-SET motif family protein 0.0033 0.0239 0.0239
Loa Loa (eye worm) RNA binding protein 0.0064 0.0582 0.0582
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0133 0.0133
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0116 0.1154 0.1154
Echinococcus multilocularis receptor type guanylyl cyclase 0.0076 0.0716 0.0716
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0436 0.0436
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0143 0.1409
Echinococcus granulosus SAM and MBT domain containing protein 0.0102 0.0998 0.0998
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.036 0.6612
Plasmodium falciparum importin beta, putative 0.0061 0.0545 1
Echinococcus multilocularis tyrosine kinase 0.0076 0.0716 0.0716
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0418 0.1503
Echinococcus granulosus nmda type glutamate receptor 0.0076 0.0716 0.0716
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0381 0.4087 1
Loa Loa (eye worm) inositol-1 0.0037 0.028 0.028
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.007 0.0099
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.007 0.007
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0076 0.0716 0.0716
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0101 0.0143
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0582 0.0582
Schistosoma mansoni bromodomain containing protein 0.0069 0.0641 0.091
Echinococcus granulosus glutamate NMDA receptor subunit 0.0149 0.1517 0.1517
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.0355 0.458
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0101 0.0101
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0529 0.5732 0.5732
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0225 0.236 0.236
Schistosoma mansoni glutamate receptor AMPA 0.0149 0.1517 0.2153
Echinococcus multilocularis zinc finger protein 0.0024 0.0137 0.0137
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0405 0.4353 0.4353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1467 0.2081
Entamoeba histolytica hypothetical protein 0.0049 0.0418 0.2425
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.0355 0.458
Brugia malayi Glutamate receptor 1 precursor 0.0149 0.1517 0.1517
Brugia malayi RNA binding protein 0.0064 0.0582 0.0582
Schistosoma mansoni inositol monophosphatase 0.0037 0.028 0.0397
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0101 0.0101
Schistosoma mansoni myelin transcription factor 1 myt1 0.0116 0.1154 0.1638
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0044 0.0355 0.0503
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0149 0.1517 0.1517
Onchocerca volvulus 0.0033 0.0239 0.0517
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0104 0.0104
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0104 0.1903
Schistosoma mansoni hypothetical protein 0.0149 0.1517 0.2153
Loa Loa (eye worm) hypothetical protein 0.0044 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0101 0.0101
Schistosoma mansoni glutamate receptor NMDA 0.0225 0.236 0.3349
Schistosoma mansoni zinc finger protein 0.0024 0.0137 0.0195
Plasmodium vivax importin-beta 2, putative 0.0061 0.0545 1
Brugia malayi steroid hormone receptor 0.0021 0.0101 0.0101
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1465 0.1465
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0101 0.0101
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1467 0.1467
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0104 0.0602
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0104 0.0814
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0545 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.028 0.1006
Schistosoma mansoni metabotropic glutamate receptor 0.0076 0.0716 0.1016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0436 0.0619
Echinococcus multilocularis geminin 0.0168 0.1731 0.1731
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0076 0.0716 0.0716
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0239 0.0239
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0418 0.5527
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0225 0.236 0.236
Loa Loa (eye worm) POT family protein 0.0049 0.0418 0.0418
Brugia malayi PHD-finger family protein 0.0029 0.0199 0.0199
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0044 0.0355 0.0355
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0101 0.0101
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.028 0.5132
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0101 0.0143
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.2427 0.2427
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.007 0.007
Echinococcus granulosus snurportin 1 0.0648 0.7046 0.7046
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0367 0.0367
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0076 0.0716 0.0716
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.028 0.1006
Brugia malayi Inositol-1 0.0037 0.028 0.028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0101 0.0101
Schistosoma mansoni inositol monophosphatase 0.0037 0.028 0.0397
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0101 0.0101
Onchocerca volvulus 0.0076 0.0716 0.2296
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0101 0.0101
Brugia malayi POT family protein 0.0049 0.0418 0.0418
Echinococcus granulosus tyrosine kinase 0.0076 0.0716 0.0716
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0101 0.0101
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0111 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0355 0.1276
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.028 0.0442
Schistosoma mansoni ran 0.0045 0.0367 0.0521
Brugia malayi Pre-SET motif family protein 0.0231 0.2427 0.2427
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0101 0.0143
Loa Loa (eye worm) RGC/RGC protein kinase 0.0076 0.0716 0.0716
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.236 0.236
Schistosoma mansoni tyrosine kinase 0.0076 0.0716 0.1016
Brugia malayi Metabotropic glutamate receptor precursor. 0.0076 0.0716 0.0716
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0237 0.0335
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0582 0.0582
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.06 0.06
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0115 0.0115
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0101 0.0143
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0102 0.0998 0.1416
Schistosoma mansoni tyrosine kinase 0.0076 0.0716 0.1016
Onchocerca volvulus 0.0102 0.0998 0.335
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0367 0.6744
Schistosoma mansoni glutamate receptor kainate 0.0149 0.1517 0.2153
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0367 0.0367
Onchocerca volvulus 0.0076 0.0716 0.2296
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.1467 0.1467
Echinococcus granulosus nmda type glutamate receptor 0.0529 0.5732 0.5732
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0.0355 0.6509
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0104 0.1903
Loa Loa (eye worm) hypothetical protein 0.0046 0.0381 0.0381
Chlamydia trachomatis glutamine binding protein 0.0381 0.4087 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0101 0.0101
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0381 0.4087 1
Echinococcus granulosus glutamate receptor 2 0.0225 0.236 0.236
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0367 0.4772
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1467 0.2081
Brugia malayi TAR-binding protein 0.0064 0.0582 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0582 0.0826
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.236 0.236
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0044 0.0355 0.0355
Brugia malayi Importin beta-1 subunit 0.0061 0.0545 0.0545
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0076 0.0716 0.0716
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0648 0.7046 0.7046
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0101 0.0101
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0545 0.0545
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0436 0.0619
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1465 0.1465
Echinococcus granulosus polycomb protein SCMH1 0.0102 0.0998 0.0998
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0436 0.0436
Echinococcus granulosus importin subunit beta 1 0.0061 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0051 0.0436 0.0436
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0101 0.0143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0403 0.0403
Brugia malayi Receptor family ligand binding region containing protein 0.0076 0.0716 0.0716
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0101 0.0143
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.236 0.236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0104 0.0104
Loa Loa (eye worm) MBCTL1 0.0116 0.1154 0.1154
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0149 0.1517 0.1517
Echinococcus granulosus histone acetyltransferase MYST2 0.0116 0.1154 0.1154
Brugia malayi hypothetical protein 0.0024 0.0143 0.0143
Echinococcus granulosus zinc finger protein 0.0024 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0101 0.0101
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0143 0.2631
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0116 0.1154 0.1154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0101 0.0101
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.028 0.028
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0044 0.0355 0.1276
Echinococcus granulosus receptor type guanylyl cyclase 0.0076 0.0716 0.0716
Echinococcus granulosus geminin 0.0168 0.1731 0.1731
Brugia malayi metabotropic glutamate receptor type 2 0.0076 0.0716 0.0716
Schistosoma mansoni hypothetical protein 0.0168 0.1731 0.2457
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0367 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0133 0.0133
Leishmania major extracellular receptor, putative 0.0076 0.0716 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0104 0.1449
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0104 0.0104
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0418 0.1503
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0101 0.0101
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0582 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0582 0.0826
Echinococcus multilocularis nmda type glutamate receptor 0.0529 0.5732 0.5732
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0101 0.0101
Schistosoma mansoni sex comb on midleg homolog 0.0102 0.0998 0.1416
Loa Loa (eye worm) glutamate receptor 2 0.0149 0.1517 0.1517
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0405 0.4353 0.4353
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0143 0.1409
Leishmania major hypothetical protein, conserved 0.0024 0.0143 0.2003
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0044 0.0355 0.0355
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.028 0.3906
Brugia malayi nuclear receptor NHR-88 0.0021 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Schistosoma mansoni ATP-binding cassette transporter 0.0149 0.1517 0.2153
Echinococcus granulosus ubiquitin specific protease 41 0.0044 0.0355 0.0355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1467 0.1467
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1393 0.1393
Brugia malayi Bromodomain containing protein 0.0082 0.0777 0.0777
Schistosoma mansoni importin beta-1 0.0061 0.0545 0.0773
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0149 0.1517 0.1517
Echinococcus multilocularis NMDA receptor 0.0149 0.1517 0.1517
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0101 0.0143
Echinococcus multilocularis histone acetyltransferase MYST2 0.0116 0.1154 0.1154
Brugia malayi Guanylyl cyclase protein 23 0.0076 0.0716 0.0716
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0101 0.0101
Echinococcus multilocularis polycomb protein SCMH1 0.0102 0.0998 0.0998
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0143 0.2631
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.028 0.1006
Echinococcus multilocularis glutamate receptor 2 0.0076 0.0716 0.0716
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.036 0.6612
Schistosoma mansoni protein kinase 0.0076 0.0716 0.1016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0104 0.0104
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0076 0.0716 0.2296
Schistosoma mansoni zinc finger protein 0.0016 0.0049 0.007
Echinococcus granulosus metabotropic glutamate receptor 5 0.0076 0.0716 0.0716
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0044 0.0355 0.1276
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0076 0.0716 0.0716
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0116 0.1154 0.1154
Toxoplasma gondii exonuclease III APE 0.0021 0.0104 0.1903
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0101 0.0101
Trichomonas vaginalis set domain proteins, putative 0.0263 0.278 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.028 0.028
Trypanosoma cruzi extracellular receptor, putative 0.0076 0.0716 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0367 0.6744
Leishmania major importin beta-1 subunit, putative 0.0049 0.0418 0.5836
Brugia malayi hypothetical protein 0.0016 0.0048 0.0048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.1467 0.1467
Brugia malayi Glutamate receptor 2 precursor 0.0149 0.1517 0.1517
Echinococcus multilocularis SAM and MBT domain containing protein 0.0102 0.0998 0.0998
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0044 0.0355 0.2059
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.036 0.6612
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0149 0.1517 0.1517
Echinococcus multilocularis snurportin 1 0.0648 0.7046 0.7046
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0101 0.0101
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0101 0.0101
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0104 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0101 0.0101
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0101 0.0101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.1467 0.2081
Loa Loa (eye worm) hypothetical protein 0.0167 0.1722 0.1722
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0076 0.0716 0.0716
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0381 0.4087 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0367 0.4772
Echinococcus granulosus glutamate receptor 2 0.0076 0.0716 0.0716
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0101 0.0143
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0225 0.236 0.236
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0101 0.0143
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.036 0.1296
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0044 0.0355 0.0503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0101 0.0101
Echinococcus granulosus tar DNA binding protein 0.0064 0.0582 0.0582
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0143 0.2631
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0239 0.034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0225 0.236 0.236
Loa Loa (eye worm) hypothetical protein 0.004 0.0316 0.0316
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0101 0.0101
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0149 0.1517 0.1517
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0044 0.0355 0.9515
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.028 0.5132
Echinococcus multilocularis nmda type glutamate receptor 0.0076 0.0716 0.0716
Leishmania major hypothetical protein, conserved 0.0016 0.0049 0.0691
Loa Loa (eye worm) RGC/RGC protein kinase 0.0076 0.0716 0.0716
Loa Loa (eye worm) hypothetical protein 0.0074 0.0689 0.0689
Loa Loa (eye worm) glutamate receptor 0.0076 0.0716 0.0716
Leishmania major GTP-binding protein, putative 0.0045 0.0367 0.5133
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0295 0.7239
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0101 0.0101
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0101 0.0143
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0101 0.0101
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0101 0.0101
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0295 0.5407
Schistosoma mansoni metabotropic glutamate receptor 0.0076 0.0716 0.1016
Loa Loa (eye worm) mbt repeat family protein 0.0102 0.0998 0.0998
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0101 0.0101
Loa Loa (eye worm) acetyltransferase 0.0144 0.1465 0.1465
Schistosoma mansoni ap endonuclease 0.0021 0.0104 0.0147
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0167 0.1722 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0101 0.0101
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0101 0.0101
Brugia malayi Bromodomain containing protein 0.0043 0.0353 0.0353
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0101 0.0143
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Brugia malayi Receptor family ligand binding region containing protein 0.0076 0.0716 0.0716
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0101 0.0101
Brugia malayi hypothetical protein 0.0076 0.0716 0.0716
Echinococcus multilocularis ubiquitin specific protease 41 0.0044 0.0355 0.0355
Echinococcus multilocularis glutamate receptor 2 0.0149 0.1517 0.1517
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0104 0.1903
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0143 0.2631
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0418 0.1503
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0167 0.1722 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0582 0.0582
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0101 0.0101
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.036 0.036
Brugia malayi RNA, U transporter 1 0.0173 0.1784 0.1784
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0367 0.6744
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0101 0.0101
Trichomonas vaginalis ran, putative 0.0045 0.0367 0.1322
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0239 0.034
Loa Loa (eye worm) hypothetical protein 0.0024 0.0143 0.0143
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0545 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0101 0.0101
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.028 0.3454
Loa Loa (eye worm) glutamate receptor 1 0.0149 0.1517 0.1517
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.036 0.1296
Schistosoma mansoni sex comb on midleg homolog 0.0102 0.0998 0.1416
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.028 0.3454
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0101 0.0143
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.06 0.06
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0101 0.0101
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0101 0.0101
Schistosoma mansoni coup transcription factor 0.0021 0.0101 0.0143
Echinococcus granulosus atrial natriuretic peptide receptor 0.0076 0.0716 0.0716
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0288 0.0288
Echinococcus multilocularis glutamate receptor 2 0.0225 0.236 0.236
Schistosoma mansoni ran 0.0045 0.0367 0.0521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.1467 0.1467
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0288 0.0288
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0104 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0582 0.0826
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0149 0.1517 0.1517
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus granulosus metabotropic glutamate receptor 2 0.0076 0.0716 0.0716
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0143 0.2631
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0545 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0381 0.4087 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0133 0.0189
Echinococcus granulosus glutamate receptor subunit protein glur 0.0149 0.1517 0.1517
Loa Loa (eye worm) hypothetical protein 0.0076 0.0716 0.0716
Loa Loa (eye worm) RGC/RGC protein kinase 0.0076 0.0716 0.0716
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0149 0.1517 0.1517
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0226 0.0226
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0044 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0101 0.0101
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0104 0.0373
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0367 0.6744
Entamoeba histolytica Ran family GTPase 0.0045 0.0367 0.2133
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0381 0.4087 1
Schistosoma mansoni glutamate receptor kainate 0.0149 0.1517 0.2153
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0582 0.0826
Onchocerca volvulus 0.0263 0.278 1
Schistosoma mansoni hypothetical protein 0.0622 0.6759 0.9593

Activities

Activity type Activity value Assay description Source Reference
Ki (ADMET) = 2.22 Binding affinity to human PepT2 in SKTP cells ChEMBL. 21741846
Ki (ADMET) = 0.006 mM Binding affinity to human PepT2 in SKTP cells ChEMBL. 21741846

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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