Detailed information for compound 454350

Basic information

Technical information
  • TDR Targets ID: 454350
  • Name: [(1R)-1-[[(2S)-2,4-diaminobutanoyl]amino]pent yl]boronic acid
  • MW: 231.1 | Formula: C9H22BN3O3
  • H donors: 5 H acceptors: 3 LogP: -1.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H](B(O)O)NC(=O)[C@H](CCN)N
  • InChi: 1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
  • InChiKey: JAXKDVVQQUKJKR-YUMQZZPRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1R)-1-[[(2S)-2,4-diamino-1-oxobutyl]amino]pentyl]boronic acid
  • [(1R)-1-[[(2S)-2,4-bis(azanyl)butanoyl]amino]pentyl]boronic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 9 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 8 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative Get druggable targets OG5_139351 All targets in OG5_139351
Schistosoma mansoni family S28 unassigned peptidase (S28 family) Get druggable targets OG5_139351 All targets in OG5_139351
Trypanosoma brucei serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus granulosus Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
Trypanosoma brucei gambiense dipeptidyl-peptidase 8-like serine protease Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K08656 dipeptidyl-peptidase 9, putative Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania donovani serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus granulosus Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
Leishmania braziliensis dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania mexicana dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus multilocularis Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi serine carboxypeptidase S28, putative dipeptidyl-peptidase 7 492 aa 471 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0224 0.1042 0.1042
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0224 0.1042 0.1042
Echinococcus granulosus g protein coupled receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) G-protein coupled receptor 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Schistosoma mansoni opsin-like receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus tachykinin peptides receptor 99D 0.0224 0.1042 0.1042
Echinococcus granulosus g protein coupled receptor 0.0224 0.1042 0.1042
Echinococcus granulosus biogenic amine 5HT receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis serotonin receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0224 0.1042 0.1042
Echinococcus multilocularis G-protein coupled receptor, putative 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptides capa receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0224 0.1042 0.1042
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0224 0.1042 0.1042
Brugia malayi Dopamine receptor protein 2 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis orexin receptor type 2 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus granulosus neuropeptide Y receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0275 0.1744 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide receptor 0.0224 0.1042 0.1042
Schistosoma mansoni opsin-like receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide F-like receptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptide receptor 0.0224 0.1042 0.1042
Brugia malayi GnHR receptor homolog 0.0224 0.1042 0.1042
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0876 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0275 0.1744 0.1744
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0876 1 1
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis g protein coupled receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis fmrfamide receptor 0.0224 0.1042 0.1042
Schistosoma mansoni amine GPCR 0.0224 0.1042 0.1042
Echinococcus granulosus 7TM GPCR rhodopsin 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine receptor 0.0224 0.1042 0.1042
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) neuropeptide F receptor 0.0224 0.1042 0.1042
Brugia malayi G-protein coupled receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0224 0.1042 0.1042
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0224 0.1042 0.1042
Schistosoma mansoni hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Mycobacterium tuberculosis Carboxylesterase LipT 0.0148 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide F-like receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis serotonin receptor 0.0224 0.1042 0.1042
Echinococcus granulosus biogenic amine 5HT receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis neuropeptide s receptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptide receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis neuropeptide Y receptor 0.0224 0.1042 0.1042
Schistosoma mansoni amine GPCR 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide receptor 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus granulosus carboxylesterase 5A 0.0876 1 1
Brugia malayi G protein-coupled receptor 0.0224 0.1042 0.1042
Brugia malayi Melatonin receptor type 1A 0.0224 0.1042 0.1042
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0148 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus serotonin receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) G-protein coupled receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus fmrfamide receptor 0.0224 0.1042 0.1042
Echinococcus granulosus somatostatin receptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptides capa receptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptide s receptor 0.0224 0.1042 0.1042
Echinococcus granulosus acetylcholinesterase 0.0876 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0275 0.1744 0.5
Echinococcus multilocularis fmrfamide receptor 0.0224 0.1042 0.1042
Brugia malayi G protein-coupled receptor F59B2.13 0.0224 0.1042 0.1042
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0456 0.4233 0.4233
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus Dipeptidyl peptidase 9 0.0275 0.1744 0.1744
Echinococcus granulosus neuropeptide Y receptor 0.0224 0.1042 0.1042
Schistosoma mansoni opsin-like receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0224 0.1042 0.1042
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0224 0.1042 0.1042
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Brugia malayi putative neuropeptide receptor 0.0224 0.1042 0.1042
Brugia malayi Dopamine receptor protein 1 0.0224 0.1042 0.1042
Echinococcus multilocularis g protein coupled receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0275 0.1744 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) carboxylesterase 0.0876 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus tm gpcr rhodopsin 0.0224 0.1042 0.1042
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0224 0.1042 0.1042
Brugia malayi Dopamine receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptide receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Brugia malayi RE15519p 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus granulosus tm gpcr rhodopsin 0.0224 0.1042 0.1042
Echinococcus multilocularis somatostatin receptor 0.0224 0.1042 0.1042
Brugia malayi Carboxylesterase family protein 0.0876 1 1
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni adenoreceptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptide FF receptor 2 0.0224 0.1042 0.1042
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0275 0.1744 0.1744
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis dro:myosuppressin receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0275 0.1744 0.5
Brugia malayi G-protein coupled receptor 0.0224 0.1042 0.1042
Echinococcus granulosus g protein coupled receptor 0.0224 0.1042 0.1042
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0224 0.1042 0.1042
Trichomonas vaginalis spcc417.12 protein, putative 0.0148 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0224 0.1042 0.1042
Echinococcus multilocularis g protein coupled receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine (5HT) receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide receptor 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni alpha-1 adrenergic receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0224 0.1042 0.1042
Brugia malayi neuropeptide F receptor 0.0224 0.1042 0.1042
Schistosoma mansoni myosin xvIII 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide f receptor 76f 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis g-protein coupled receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptide Y receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis acetylcholinesterase 0.0876 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Schistosoma mansoni neuropeptide receptor 0.0224 0.1042 0.1042
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0224 0.1042 1
Echinococcus granulosus orexin receptor type 2 0.0224 0.1042 0.1042
Echinococcus granulosus hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis allatostatin A receptor 0.0224 0.1042 0.1042
Schistosoma mansoni hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus sex peptide receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus G protein coupled receptor 139 0.0224 0.1042 0.1042
Onchocerca volvulus Neuropeptide F receptor homolog 0.0224 0.1042 1
Schistosoma mansoni histamine h1 receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) neuropeptide F receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Mycobacterium ulcerans carboxylesterase, LipT 0.0148 0 0.5
Brugia malayi Serotonin receptor 0.0224 0.1042 0.1042
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0224 0.1042 0.1042
Schistosoma mansoni amine GPCR 0.0224 0.1042 0.1042
Echinococcus granulosus tm gpcr rhodopsin 0.0224 0.1042 0.1042
Brugia malayi prolyl oligopeptidase family protein 0.0275 0.1744 0.1744
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus acetylcholinesterase 0.0876 1 1
Schistosoma mansoni amine GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Brugia malayi ORL1-like opioid receptor 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0456 0.4233 0.4233
Loa Loa (eye worm) melatonin receptor type 1A 0.0224 0.1042 0.1042
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis acetylcholinesterase 0.0876 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0224 0.1042 0.1042
Echinococcus multilocularis G protein coupled receptor 139 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0224 0.1042 0.1042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.1042 0.1042
Echinococcus granulosus peptide allatostatin:somatostatin 0.0224 0.1042 0.1042
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Brugia malayi follicle stimulating hormone receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine (5HT) receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0224 0.1042 0.1042
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0168 0.0268 0.0268
Brugia malayi putative neuropeptide receptor NPR1 0.0224 0.1042 0.1042
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0224 0.1042 0.1042
Echinococcus granulosus rhodopsin orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0148 0 0.5
Schistosoma mansoni hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptide receptor A26 0.0224 0.1042 0.1042
Loa Loa (eye worm) TYRA-2 protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptides capa receptor 0.0224 0.1042 0.1042
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0224 0.1042 0.1042
Echinococcus granulosus neuropeptide receptor A26 0.0224 0.1042 0.1042
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0224 0.1042 0.1042
Brugia malayi sulfakinin receptor protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0876 1 1
Echinococcus granulosus allatostatin A receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptide receptor 0.0224 0.1042 0.1042
Schistosoma mansoni growth hormone secretagogue receptor 0.0224 0.1042 0.1042
Brugia malayi larval opioid receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus multilocularis carboxylesterase 5A 0.0876 1 1
Brugia malayi AKH receptor 0.0224 0.1042 0.1042
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0224 0.1042 0.1042
Echinococcus granulosus g-protein coupled receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus dro:myosuppressin receptor 0.0224 0.1042 0.1042
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0224 0.1042 0.1042
Echinococcus multilocularis neuropeptides capa receptor 0.0224 0.1042 0.1042
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0224 0.1042 0.1042
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0456 0.4233 0.4233
Brugia malayi hypothetical protein 0.0224 0.1042 0.1042
Onchocerca volvulus 0.0224 0.1042 1
Brugia malayi neuropeptide F receptor 0.0224 0.1042 0.1042
Schistosoma mansoni amine GPCR 0.0224 0.1042 0.1042
Echinococcus multilocularis sex peptide receptor 0.0224 0.1042 0.1042
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0224 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus 7tm_1 domain containing protein 0.0224 0.1042 0.1042
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0275 0.1744 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0876 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0224 0.1042 0.1042
Brugia malayi Serotonin receptor 0.0224 0.1042 0.1042
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0148 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.1042 0.1042
Echinococcus granulosus alpha 1A adrenergic receptor 0.0224 0.1042 0.1042

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 62.4 % Inhibition of DPP2 expressed in HEK 293T cells assessed as remaining Ala-Pro-AFC substrate cleavage activity at 4.8 uM ChEMBL. 17055271
Activity (binding) = 62.4 % Inhibition of DPP2 expressed in HEK 293T cells assessed as remaining Ala-Pro-AFC substrate cleavage activity at 4.8 uM ChEMBL. 17055271
Activity (binding) = 94.3 % Inhibition of DPP expressed in HEK 293T cells assessed as remaining Ala-Pro-AFC substrate cleavage activity at 4.8 uM ChEMBL. 17055271
IC50 (binding) = 0.48 nM Inhibition of human DPP2 ChEMBL. 17055271
IC50 (binding) = 0.48 nM Inhibition of human DPP2 ChEMBL. 17055271
IC50 (binding) = 800 nM Inhibition of human DPP9 ChEMBL. 17055271
IC50 (binding) = 800 nM Inhibition of human DPP9 ChEMBL. 17055271
IC50 (binding) = 4300 nM Inhibition of human DPP8 ChEMBL. 17055271
IC50 (binding) = 4300 nM Inhibition of human DPP8 ChEMBL. 17055271
IC50 (binding) > 20000 nM Inhibition of prolyl oligopeptidase ChEMBL. 17055271
IC50 (binding) > 20000 nM Inhibition of prolyl oligopeptidase ChEMBL. 17055271
IC50 (binding) > 33000 nM Inhibition of human DPP4 ChEMBL. 17055271
IC50 (binding) > 33000 nM Inhibition of human FAP ChEMBL. 17055271
IC50 (binding) > 33000 nM Inhibition of human DPP4 ChEMBL. 17055271
IC50 (binding) > 33000 nM Inhibition of human FAP ChEMBL. 17055271

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

1 literature reference was collected for this gene.

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