Detailed information for compound 253510

Basic information

Technical information
  • TDR Targets ID: 253510
  • Name: 2,4-diamino-1-piperidin-1-ylbutan-1-one
  • MW: 185.267 | Formula: C9H19N3O
  • H donors: 2 H acceptors: 1 LogP: -0.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCC(C(=O)N1CCCCC1)N
  • InChi: 1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2
  • InChiKey: RKBKYSFKXFKBBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-diamino-1-(1-piperidyl)butan-1-one
  • 2,4-diamino-1-(1-piperidyl)-1-butanone
  • 2,4-bis(azanyl)-1-piperidin-1-yl-butan-1-one
  • 2,4-diamino-1-piperidino-butan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 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
Schistosoma japonicum ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative Get druggable targets OG5_139351 All targets in OG5_139351
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
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
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0698 0.273 0.4193
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0221 0.0638 0.0738
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Echinococcus granulosus g-protein coupled receptor 0.0221 0.0638 0.0664
Echinococcus granulosus G protein coupled receptor 139 0.0221 0.0638 0.0664
Onchocerca volvulus 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Echinococcus multilocularis fmrfamide receptor 0.0221 0.0638 0.0738
Brugia malayi G protein-coupled receptor 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Brugia malayi putative neuropeptide receptor 0.0221 0.0638 0.0963
Echinococcus multilocularis neuropeptide Y receptor 0.0221 0.0638 0.0738
Brugia malayi Dopamine receptor protein 1 0.0221 0.0638 0.0963
Leishmania major ferredoxin, 2fe-2s-like protein 0.0076 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Leishmania major ferredoxin 2fe-2s-like protein 0.0076 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0221 0.0638 0.0963
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.1111 0.4539 0.6971
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0221 0.0638 0.3823
Trypanosoma brucei NADH-ubiquinone oxidoreductase complex I subunit, putative 0.0076 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0221 0.0638 0.0738
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0221 0.0638 0.0664
Loa Loa (eye worm) G-protein coupled receptor 0.0221 0.0638 1
Treponema pallidum hypothetical protein 0.0383 0.1347 1
Trypanosoma cruzi adrenodoxin precursor, putative 0.0076 0 0.5
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.045 0.164 0.3614
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis g protein coupled receptor 0.0221 0.0638 0.0738
Echinococcus multilocularis neuropeptide Y receptor 0.0221 0.0638 0.0738
Onchocerca volvulus 0.0221 0.0638 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0221 0.0638 0.0963
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0221 0.0638 0.3823
Toxoplasma gondii adrenodoxin-type ferredoxin, putative 0.0076 0 0.5
Schistosoma mansoni hypothetical protein 0.0221 0.0638 0.3823
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0221 0.0638 0.0963
Brugia malayi Dopamine receptor 0.0221 0.0638 0.0963
Brugia malayi larval opioid receptor 0.0221 0.0638 0.0963
Brugia malayi neuropeptide F receptor 0.0221 0.0638 0.0963
Chlamydia trachomatis ferredoxin 0.0076 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0221 0.0638 0.0664
Schistosoma mansoni opsin-like receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) neuropeptide F receptor 0.0221 0.0638 1
Brugia malayi GnHR receptor homolog 0.0221 0.0638 0.0963
Echinococcus granulosus neuropeptide FF receptor 2 0.0221 0.0638 0.0664
Echinococcus multilocularis G-protein coupled receptor, putative 0.0221 0.0638 0.0738
Toxoplasma gondii ferredoxin, putative 0.0076 0 0.5
Onchocerca volvulus 0.0221 0.0638 1
Brugia malayi Dopamine receptor protein 2 0.0221 0.0638 0.0963
Echinococcus granulosus neuropeptides capa receptor 0.0221 0.0638 0.0664
Echinococcus granulosus 7TM GPCR rhodopsin 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0221 0.0638 0.0738
Echinococcus granulosus neuropeptides capa receptor 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0221 0.0638 0.0664
Trypanosoma cruzi adrenodoxin precursor, putative 0.0076 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0221 0.0638 0.0738
Echinococcus granulosus neuropeptide s receptor 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Mycobacterium ulcerans hypothetical protein 0.0383 0.1347 0.2069
Brugia malayi G-protein coupled receptor 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0456 0.1669 1
Echinococcus multilocularis neuropeptide s receptor 0.0221 0.0638 0.0738
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) neuropeptide F receptor 0.0221 0.0638 1
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0 0.5
Onchocerca volvulus 0.0221 0.0638 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0221 0.0638 0.0664
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0221 0.0638 0.0738
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Echinococcus granulosus g protein coupled receptor 0.0221 0.0638 0.0664
Echinococcus granulosus tm gpcr rhodopsin 0.0221 0.0638 0.0664
Echinococcus multilocularis dro:myosuppressin receptor 0.0221 0.0638 0.0738
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0221 0.0638 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0221 0.0638 0.0738
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Schistosoma mansoni opsin-like receptor 0.0221 0.0638 0.3823
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0221 0.0638 0.3823
Brugia malayi putative neuropeptide receptor NPR1 0.0221 0.0638 0.0963
Schistosoma mansoni histamine h1 receptor 0.0221 0.0638 0.3823
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.1561 0.6512 1
Schistosoma mansoni amine GPCR 0.0221 0.0638 0.3823
Onchocerca volvulus 0.0221 0.0638 1
Plasmodium vivax ferredoxin, putative 0.0076 0 0.5
Onchocerca volvulus 0.0221 0.0638 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.1111 0.4539 0.6971
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0221 0.0638 0.0738
Echinococcus multilocularis orexin receptor type 2 0.0221 0.0638 0.0738
Onchocerca volvulus 0.0221 0.0638 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0221 0.0638 1
Brugia malayi Serotonin receptor 0.0221 0.0638 0.0963
Echinococcus multilocularis g protein coupled receptor 0.0221 0.0638 0.0738
Onchocerca volvulus 0.0221 0.0638 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0221 0.0638 0.0738
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0221 0.0638 0.0664
Treponema pallidum quinoline 2-oxidoreductase 0.0374 0.1308 0.8682
Schistosoma mansoni biogenic amine (5HT) receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Leishmania major hypothetical protein, conserved 0.0076 0 0.5
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.1111 0.4539 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0221 0.0638 0.3823
Echinococcus multilocularis serotonin receptor 0.0221 0.0638 0.0738
Echinococcus granulosus neuropeptide receptor A26 0.0221 0.0638 0.0664
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Onchocerca volvulus 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Onchocerca volvulus 0.0221 0.0638 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0795 0.3156 0.4847
Schistosoma mansoni neuropeptide receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0221 0.0638 0.0963
Brugia malayi RE15519p 0.0221 0.0638 0.0963
Leishmania major adrenodoxin-like protein,ferredoxin, 2fe-2s-like protein 0.0076 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Schistosoma mansoni neuropeptide receptor 0.0221 0.0638 0.3823
Schistosoma mansoni amine GPCR 0.0221 0.0638 0.3823
Plasmodium falciparum adrenodoxin-type ferredoxin, putative 0.0076 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0221 0.0638 0.0963
Brugia malayi Serotonin receptor 0.1586 0.6624 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis G protein coupled receptor 139 0.0221 0.0638 0.0738
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0221 0.0638 1
Brugia malayi Melatonin receptor type 1A 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0221 0.0638 0.0738
Echinococcus granulosus somatostatin receptor 0.0221 0.0638 0.0664
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0456 0.1669 0.1931
Echinococcus granulosus neuropeptide Y receptor 0.0221 0.0638 0.0664
Schistosoma mansoni myosin xvIII 0.0221 0.0638 0.3823
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0221 0.0638 0.0664
Onchocerca volvulus 0.0221 0.0638 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0221 0.0638 0.0664
Echinococcus granulosus biogenic amine 5HT receptor 0.0221 0.0638 0.0664
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Brugia malayi sulfakinin receptor protein 0.0221 0.0638 0.0963
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.0076 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0221 0.0638 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0456 0.1669 0.1736
Brugia malayi G protein-coupled receptor F59B2.13 0.0221 0.0638 0.0963
Onchocerca volvulus 0.0221 0.0638 1
Echinococcus multilocularis neuropeptides capa receptor 0.0221 0.0638 0.0738
Loa Loa (eye worm) TYRA-2 protein 0.0221 0.0638 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Schistosoma mansoni biogenic amine receptor 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus serotonin receptor 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Onchocerca volvulus 0.0221 0.0638 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0221 0.0638 0.3823
Schistosoma mansoni amine GPCR 0.0221 0.0638 0.3823
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0221 0.0638 0.0738
Onchocerca volvulus 0.0221 0.0638 1
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0221 0.0638 0.3823
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0795 0.3156 0.6953
Loa Loa (eye worm) melatonin receptor type 1A 0.0221 0.0638 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0221 0.0638 0.0738
Schistosoma mansoni neuropeptide receptor 0.0221 0.0638 0.3823
Echinococcus granulosus hypothetical protein 0.2269 0.9617 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0221 0.0638 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0221 0.0638 0.0664
Schistosoma mansoni amine GPCR 0.0221 0.0638 0.3823
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.045 0.164 0.2519
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis neuropeptide receptor 0.0221 0.0638 0.0738
Echinococcus multilocularis allatostatin A receptor 0.0221 0.0638 0.0738
Schistosoma mansoni biogenic amine receptor 0.0221 0.0638 0.3823
Echinococcus granulosus neuropeptide Y receptor 0.0221 0.0638 0.0664
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Echinococcus granulosus tm gpcr rhodopsin 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0221 0.0638 0.0664
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Trichomonas vaginalis aldehyde oxidase, putative 0.2356 1 1
Schistosoma mansoni biogenic amine receptor 0.0221 0.0638 0.3823
Echinococcus granulosus g protein coupled receptor 0.0221 0.0638 0.0664
Echinococcus granulosus rhodopsin orphan GPCR 0.0221 0.0638 0.0664
Echinococcus multilocularis g protein coupled receptor 0.0221 0.0638 0.0738
Schistosoma mansoni hypothetical protein 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni amine GPCR 0.0221 0.0638 0.3823
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0221 0.0638 0.3823
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0221 0.0638 0.0664
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Echinococcus granulosus g protein coupled receptor 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Onchocerca volvulus 0.0221 0.0638 1
Echinococcus multilocularis neuropeptide receptor 0.0221 0.0638 0.0738
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0221 0.0638 0.0738
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0221 0.0638 0.3823
Onchocerca volvulus 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0221 0.0638 0.3823
Brugia malayi G-protein coupled receptor 0.0221 0.0638 0.0963
Echinococcus granulosus fmrfamide receptor 0.0221 0.0638 0.0664
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni hypothetical protein 0.0221 0.0638 0.3823
Echinococcus granulosus tm gpcr rhodopsin 0.0221 0.0638 0.0664
Echinococcus multilocularis somatostatin receptor 0.0221 0.0638 0.0738
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0221 0.0638 0.3823
Wolbachia endosymbiont of Brugia malayi ferredoxin 0.0076 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0221 0.0638 0.0738
Schistosoma mansoni neuropeptide F-like receptor 0.0221 0.0638 0.3823
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0221 0.0638 0.0738
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0221 0.0638 0.0738
Trichomonas vaginalis xanthine dehydrogenase, putative 0.2356 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0221 0.0638 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0221 0.0638 0.0738
Trypanosoma brucei electron transfer protein, putative 0.0076 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0221 0.0638 0.0738
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0377 0.1321 0.1528
Echinococcus granulosus 7tm_1 domain containing protein 0.0221 0.0638 0.0664
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0221 0.0638 0.0664
Brugia malayi follicle stimulating hormone receptor 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Loa Loa (eye worm) G-protein coupled receptor 0.0221 0.0638 1
Echinococcus multilocularis conserved hypothetical protein 0.2048 0.8646 1
Echinococcus multilocularis g-protein coupled receptor 0.0221 0.0638 0.0738
Brugia malayi neuropeptide F receptor 0.0221 0.0638 0.0963
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0221 0.0638 0.3823
Echinococcus multilocularis serotonin receptor 0.0221 0.0638 0.0738
Onchocerca volvulus 0.0221 0.0638 1
Schistosoma mansoni opsin-like receptor 0.0221 0.0638 0.3823
Echinococcus multilocularis neuropeptide receptor A26 0.0221 0.0638 0.0738
Schistosoma mansoni neuropeptide F-like receptor 0.0221 0.0638 0.3823
Echinococcus granulosus orexin receptor type 2 0.0221 0.0638 0.0664
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Plasmodium falciparum ferredoxin, putative 0.0076 0 0.5
Leishmania major adrenodoxin-like protein,ferredoxin, 2fe-2s-like protein 0.0076 0 0.5
Schistosoma mansoni hypothetical protein 0.0221 0.0638 0.3823
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Echinococcus granulosus neuropeptide receptor 0.0221 0.0638 0.0664
Echinococcus granulosus allatostatin A receptor 0.0221 0.0638 0.0664
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.045 0.164 0.2519
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Echinococcus multilocularis fmrfamide receptor 0.0221 0.0638 0.0738
Toxoplasma gondii ferodoxin FD 0.0076 0 0.5
Echinococcus granulosus sex peptide receptor 0.0221 0.0638 0.0664
Echinococcus granulosus nuclear factor of activated T cells 5 0.0377 0.1321 0.1374
Echinococcus multilocularis rhodopsin orphan GPCR 0.0221 0.0638 0.0738
Echinococcus granulosus neuropeptide receptor 0.0221 0.0638 0.0664
Schistosoma mansoni adenoreceptor 0.0221 0.0638 0.3823
Giardia lamblia [2Fe-2S] ferredoxin 0.0076 0 0.5
Brugia malayi AKH receptor 0.0221 0.0638 0.0963
Brugia malayi hypothetical protein 0.0221 0.0638 0.0963
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Schistosoma mansoni neuropeptide receptor 0.0221 0.0638 0.3823
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0795 0.3156 0.4847
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0221 0.0638 0.3823
Loa Loa (eye worm) hypothetical protein 0.0221 0.0638 1
Trypanosoma cruzi adrenodoxin precursor, putative 0.0076 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0221 0.0638 0.0963
Schistosoma mansoni neuropeptide f receptor 76f 0.0221 0.0638 0.3823
Schistosoma mansoni alpha-1 adrenergic receptor 0.0221 0.0638 0.3823

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.13 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 0.13 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 1.15 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 1.15 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 191 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 191 uM Inhibitory activity of compound against Dipeptidyl-peptidase II (DPP II) ChEMBL. 14584950
IC50 (binding) = 500 uM Inhibitory activity against Dipeptidyl-peptidase IV (DPP IV) ChEMBL. 14584950
IC50 (binding) = 500 uM Inhibitory activity against Dipeptidyl-peptidase IV (DPP IV) ChEMBL. 14584950
IC50 (binding) > 1000 uM Inhibitory activity against Dipeptidyl-peptidase IV (DPP IV) ChEMBL. 14584950
IC50 (binding) > 1000 uM Inhibitory activity against Dipeptidyl-peptidase IV (DPP IV) ChEMBL. 14584950
Selectivity index (binding) = 0 Selectivity index of compound was determined as value for DPP IV divided by value for DPP II ChEMBL. 14584950
Selectivity index (binding) = 435 Selectivity index of compound was determined as value for DPP IV divided by value for DPP II ChEMBL. 14584950
Selectivity index (binding) > 7592 Selectivity index of compound was determined as value for DPP IV divided by value for DPP II ChEMBL. 14584950

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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