Detailed information for compound 461522

Basic information

Technical information
  • TDR Targets ID: 461522
  • Name: (3R)-3-amino-1-[4-benzyl-1-methyl-2-(trifluor omethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin -5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  • MW: 510.475 | Formula: C25H24F6N4O
  • H donors: 1 H acceptors: 2 LogP: 3.64 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCc2c(C1Cc1ccccc1)nc(n2C)C(F)(F)F
  • InChi: 1S/C25H24F6N4O/c1-34-20-7-8-35(22(36)12-16(32)10-15-11-18(27)19(28)13-17(15)26)21(9-14-5-3-2-4-6-14)23(20)33-24(34)25(29,30)31/h2-6,11,13,16,21H,7-10,12,32H2,1H3/t16-,21?/m1/s1
  • InChiKey: WPHMUXWMCFNMCS-UJONTBEJSA-N  

Network

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Synonyms

  • (3R)-3-amino-1-[4-benzyl-1-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)-1-butanone
  • (3R)-3-azanyl-1-[1-methyl-4-(phenylmethyl)-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  • (3R)-3-amino-1-[1-methyl-4-(phenylmethyl)-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  • (3R)-3-amino-1-[4-(benzyl)-1-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614

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
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0057 0.0031 0.0083
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0057 0.0031 0.0205
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0057 0.0031 0.0083
Schistosoma mansoni 3-dehydroquinate synthase 0.1208 0.3798 1
Onchocerca volvulus 0.0057 0.0031 0.0086
Echinococcus multilocularis Furin 1 0.0101 0.0176 0.1288
Loa Loa (eye worm) hypothetical protein 0.0058 0.0034 0.0095
Echinococcus granulosus peptide allatostatin:somatostatin 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0098 0.0165 0.0506
Loa Loa (eye worm) endoprotease bli-4 0.0429 0.1247 0.3916
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.1208 0.3798 0.3702
Echinococcus multilocularis neuropeptides capa receptor 0.0057 0.0031 0.0205
Schistosoma mansoni opsin-like receptor 0.0057 0.0031 0.0083
Echinococcus granulosus neuropeptide receptor A26 0.0057 0.0031 0.0205
Mycobacterium ulcerans hypothetical protein 0.0098 0.0165 0.0012
Loa Loa (eye worm) TK/ROR protein kinase 0.0241 0.0633 0.198
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0075 0.1127
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni hypothetical protein 0.0098 0.0165 0.0434
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0057 0.0031 0.0205
Trichomonas vaginalis hypothetical protein 0.0083 0.0116 0.1614
Schistosoma mansoni amine GPCR 0.0057 0.0031 0.0083
Echinococcus multilocularis somatostatin receptor 0.0057 0.0031 0.0205
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Trypsin family protein 0.0098 0.0165 0.0506
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi G-protein coupled receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.0529 0.1655
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi sulfakinin receptor protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.3103 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.0292 0.0768
Echinococcus granulosus glycoprotein Antigen 5 0.0098 0.0165 0.1204
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0094 0.0152 0.0467
Onchocerca volvulus 0.0057 0.0031 0.0086
Brugia malayi Dopamine receptor 0.0057 0.0031 0.0086
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.0529 0.3937
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Mycobacterium ulcerans 3-dehydroquinate synthase 0.1208 0.3798 0.3702
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.0434
Echinococcus multilocularis sex peptide receptor 0.0057 0.0031 0.0205
Brugia malayi G protein-coupled receptor F59B2.13 0.0057 0.0031 0.0086
Echinococcus multilocularis neuropeptide s receptor 0.0057 0.0031 0.0205
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) hypothetical protein 0.0098 0.0165 0.0506
Echinococcus granulosus g protein coupled receptor 0.0057 0.0031 0.0205
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0083 0.0116 0.1614
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0075 0.0531
Loa Loa (eye worm) hypothetical protein 0.0069 0.0072 0.0214
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus multilocularis orexin receptor type 2 0.0057 0.0031 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Echinococcus granulosus g protein coupled receptor 0.0057 0.0031 0.0205
Echinococcus granulosus G protein coupled receptor 139 0.0057 0.0031 0.0205
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus granulosus 7TM GPCR rhodopsin 0.0057 0.0031 0.0205
Toxoplasma gondii cathepsin CPC2 0.0167 0.039 0.0318
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Peptidase family M13 containing protein 0.0094 0.0152 0.0467
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni biogenic amine receptor 0.0057 0.0031 0.0083
Echinococcus granulosus hypothetical protein 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni hypothetical protein 0.0241 0.0633 0.1666
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0166 0.0387 0.1206
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0456 0.1338 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Brugia malayi larval opioid receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Onchocerca volvulus 0.0057 0.0031 0.0086
Echinococcus granulosus neuroendocrine convertase 2 0.0269 0.0726 0.541
Echinococcus granulosus alpha 1A adrenergic receptor 0.0057 0.0031 0.0205
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0098 0.0165 0.0434
Schistosoma mansoni biogenic amine receptor 0.0057 0.0031 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi AKH receptor 0.0057 0.0031 0.0086
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0057 0.0031 0.0086
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Tachykinin-like peptides receptor 99D 0.0057 0.0031 0.0086
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0057 0.0031 0.0086
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0137 0.0292 0.0768
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.0152 0.0401
Echinococcus multilocularis serotonin receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0201 0.0504 0.1574
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Echinococcus multilocularis fmrfamide receptor 0.0057 0.0031 0.0205
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1895 0.6047 0.3627
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.026 0.0697 0.5193
Onchocerca volvulus 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis cathepsin b 0.0137 0.0292 0.2155
Loa Loa (eye worm) hypothetical protein 0.0429 0.1247 0.3916
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0057 0.0031 0.0083
Schistosoma mansoni hypothetical protein 0.0083 0.0116 0.0305
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0057 0.0031 0.0205
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0201 0.0504 0.1326
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Schistosoma mansoni neuropeptide F-like receptor 0.0057 0.0031 0.0083
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Echinococcus granulosus fmrfamide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus tm gpcr rhodopsin 0.0057 0.0031 0.0205
Echinococcus granulosus neuropeptide Y receptor 0.0057 0.0031 0.0205
Echinococcus multilocularis neuropeptide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) melatonin receptor type 1A 0.0057 0.0031 0.0086
Echinococcus multilocularis tissue type plasminogen activator 0.0241 0.0633 0.471
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0057 0.0031 0.0083
Brugia malayi Trypsin family protein 0.1019 0.3178 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0166 0.0387 0.1206
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus granulosus neuropeptide Y receptor 0.0057 0.0031 0.0205
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0201 0.0504 0.3743
Loa Loa (eye worm) hypothetical protein 0.0098 0.0165 0.0506
Loa Loa (eye worm) trypsin family protein 0.0098 0.0165 0.0506
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Echinococcus granulosus dro:myosuppressin receptor 0.0057 0.0031 0.0205
Echinococcus granulosus neuropeptide receptor 0.0057 0.0031 0.0205
Onchocerca volvulus 0.1019 0.3178 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus lysine specific histone demethylase 1A 0.0201 0.0504 0.3743
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Echinococcus multilocularis neuropeptide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.0292 0.0768
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0075 1
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0057 0.0031 0.0086
Schistosoma mansoni biogenic amine (5HT) receptor 0.0057 0.0031 0.0083
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Brugia malayi hypothetical protein 0.0098 0.0165 0.0506
Schistosoma mansoni neuropeptide receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) peptidase family M13 containing protein 0.0069 0.0072 0.0214
Schistosoma mansoni amine GPCR 0.0057 0.0031 0.0083
Schistosoma mansoni hypothetical protein 0.0057 0.0031 0.0083
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0057 0.0031 0.0086
Echinococcus multilocularis serotonin receptor 0.0057 0.0031 0.0205
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.0529 0.1394
Onchocerca volvulus 0.0057 0.0031 0.0086
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.3103 1 1
Brugia malayi GnHR receptor homolog 0.0057 0.0031 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.0529 0.3937
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0057 0.0031 0.0086
Echinococcus multilocularis neuropeptide Y receptor 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Brugia malayi celfurPC protein 0.0346 0.0976 0.3062
Echinococcus granulosus g-protein coupled receptor 0.0057 0.0031 0.0205
Echinococcus granulosus neuropeptide s receptor 0.0057 0.0031 0.0205
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0057 0.0031 0.0083
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Onchocerca volvulus 0.0098 0.0165 0.0506
Schistosoma mansoni neuropeptide receptor 0.0057 0.0031 0.0083
Echinococcus granulosus neuropeptide receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni adenoreceptor 0.0057 0.0031 0.0083
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0057 0.0031 0.0086
Brugia malayi G protein-coupled receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0201 0.0504 0.1574
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Serotonin receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0171 0.0403 0.1256
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Onchocerca volvulus Neuropeptide F receptor homolog 0.0057 0.0031 0.0086
Echinococcus multilocularis G protein coupled receptor 139 0.0057 0.0031 0.0205
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0137 0.0292 0.4575
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Echinococcus granulosus cathepsin b 0.0137 0.0292 0.2155
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0075 0.1127
Echinococcus granulosus allatostatin A receptor 0.0057 0.0031 0.0205
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0429 0.1247 0.3284
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.0292 0.0768
Schistosoma mansoni myosin xvIII 0.0057 0.0031 0.0083
Brugia malayi endoprotease bli-4 precursor 0.0429 0.1247 0.3916
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1895 0.6047 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1019 0.3178 0.8369
Onchocerca volvulus 0.0098 0.0165 0.0506
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0098 0.0165 0.1204
Brugia malayi putative neuropeptide receptor NPR1 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0101 0.0176 0.0463
Echinococcus multilocularis dro:myosuppressin receptor 0.0057 0.0031 0.0205
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0057 0.0031 0.0205
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0057 0.0031 0.0083
Brugia malayi neuropeptide F receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus neuropeptides capa receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0241 0.0633 0.198
Onchocerca volvulus 0.0098 0.0165 0.0506
Echinococcus multilocularis Mastin 0.0098 0.0165 0.1204
Brugia malayi Kringle domain containing protein 0.0241 0.0633 0.198
Echinococcus multilocularis neuropeptide FF receptor 2 0.0057 0.0031 0.0205
Echinococcus granulosus somatostatin receptor 0.0057 0.0031 0.0205
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Echinococcus multilocularis enteropeptidase 0.0098 0.0165 0.1204
Loa Loa (eye worm) hypothetical protein 0.0098 0.0165 0.0506
Echinococcus granulosus transmembrane protease serine 3 0.0098 0.0165 0.1204
Brugia malayi Protein kinase domain containing protein 0.0241 0.0633 0.198
Brugia malayi neuroendocrine convertase 1 precursor 0.0269 0.0726 0.2274
Echinococcus multilocularis g protein coupled receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0057 0.0031 0.0086
Echinococcus granulosus tissue type plasminogen activator 0.0241 0.0633 0.471
Loa Loa (eye worm) hypothetical protein 0.0168 0.0395 0.1231
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0075 0.1127
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0083 0.0116 0.1614
Schistosoma mansoni hypothetical protein 0.0057 0.0031 0.0083
Schistosoma mansoni neuropeptide receptor 0.0057 0.0031 0.0083
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) neuropeptide F receptor 0.0057 0.0031 0.0086
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Echinococcus granulosus neuropeptides capa receptor 0.0057 0.0031 0.0205
Toxoplasma gondii kringle domain-containing protein 0.0241 0.0633 0.0562
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0094 0.0152 0.0467
Onchocerca volvulus 0.0057 0.0031 0.0086
Brugia malayi Dopamine receptor protein 1 0.0057 0.0031 0.0086
Echinococcus multilocularis fmrfamide receptor 0.0057 0.0031 0.0205
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0057 0.0031 0.0083
Entamoeba histolytica cyclin, putative 0.0049 0.0004 0.5
Loa Loa (eye worm) proprotein convertase 2 0.0101 0.0176 0.0541
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0057 0.0031 0.0086
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.026 0.0697 0.5193
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1019 0.3178 0.8369
Loa Loa (eye worm) hypothetical protein 0.0098 0.0165 0.0506
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Brugia malayi cathepsin B-like cysteine proteinase 0.0137 0.0292 0.0906
Echinococcus granulosus Furin 1 0.0101 0.0176 0.1288
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus tm gpcr rhodopsin 0.0057 0.0031 0.0205
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) neuropeptide F receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni amine GPCR 0.0057 0.0031 0.0083
Brugia malayi putative neuropeptide receptor 0.0057 0.0031 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.1208 0.3798 1
Schistosoma mansoni hypothetical protein 0.0057 0.0031 0.0083
Loa Loa (eye worm) TYRA-2 protein 0.0057 0.0031 0.0086
Onchocerca volvulus 0.0241 0.0633 0.198
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0241 0.0633 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.0434
Brugia malayi Dopamine receptor protein 2 0.0057 0.0031 0.0086
Echinococcus granulosus g protein coupled receptor 0.0057 0.0031 0.0205
Brugia malayi G-protein coupled receptor 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0075 0.0531
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0057 0.0031 0.0205
Brugia malayi Trypsin-like protease protein 5 0.0098 0.0165 0.0506
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0094 0.0152 0.0467
Echinococcus multilocularis cathepsin b 0.0137 0.0292 0.2155
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0057 0.0031 0.0086
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0057 0.0031 0.0083
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1895 0.6047 0.5986
Brugia malayi RE15519p 0.0057 0.0031 0.0086
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0057 0.0031 0.0205
Echinococcus multilocularis g-protein coupled receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0101 0.0176 0.2479
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Trypanosoma cruzi hypothetical protein, conserved 0.0241 0.0633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Echinococcus multilocularis 0.0346 0.0976 0.7283
Leishmania major hypothetical protein, conserved 0.0241 0.0633 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.026 0.0697 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.0075 0.0197
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus sex peptide receptor 0.0057 0.0031 0.0205
Giardia lamblia High cysteine membrane protein Group 2 0.0159 0.0366 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus biogenic amine 5HT receptor 0.0057 0.0031 0.0205
Schistosoma mansoni hypothetical protein 0.0098 0.0165 0.0434
Brugia malayi Trypsin family protein 0.0098 0.0165 0.0506
Loa Loa (eye worm) hypothetical protein 0.1019 0.3178 1
Brugia malayi Serotonin receptor 0.0057 0.0031 0.0086
Echinococcus multilocularis glycoprotein Antigen 5 0.0098 0.0165 0.1204
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Schistosoma mansoni opsin-like receptor 0.0057 0.0031 0.0083
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi Trypsin family protein 0.0098 0.0165 0.0506
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.1019 0.3178 1
Onchocerca volvulus 0.0098 0.0165 0.0506
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0098 0.0165 0.1204
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi amine oxidase, flavin-containing family protein 0.0058 0.0034 0.0095
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Loa Loa (eye worm) hypothetical protein 0.0071 0.0077 0.0231
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.0529 0.1655
Schistosoma mansoni hypothetical protein 0.0057 0.0031 0.0083
Schistosoma mansoni biogenic amine (5HT) receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0054 0.0021 0.0052
Loa Loa (eye worm) hypothetical protein 0.0094 0.0152 0.0467
Echinococcus multilocularis endothelin converting enzyme 1 0.0094 0.0152 0.1111
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0057 0.0031 0.0205
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis allatostatin A receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Brugia malayi proprotein convertase 2 0.0269 0.0726 0.2274
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Brugia malayi hypothetical protein 0.0054 0.0021 0.0052
Echinococcus granulosus tachykinin peptides receptor 99D 0.0057 0.0031 0.0205
Schistosoma mansoni cyclin B 0.0049 0.0004 0.0011
Echinococcus granulosus serotonin receptor 0.0057 0.0031 0.0205
Brugia malayi follicle stimulating hormone receptor 0.0057 0.0031 0.0086
Schistosoma mansoni biogenic amine receptor 0.0057 0.0031 0.0083
Echinococcus multilocularis g protein coupled receptor 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0218 0.0559 0.1749
Onchocerca volvulus 0.0921 0.2858 0.8992
Echinococcus granulosus orexin receptor type 2 0.0057 0.0031 0.0205
Echinococcus granulosus furin 0.0429 0.1247 0.9316
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0075 1
Onchocerca volvulus 0.0057 0.0031 0.0086
Loa Loa (eye worm) peptidase family M13 containing protein 0.0069 0.0072 0.0214
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0057 0.0031 0.0205
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0057 0.0031 0.0083
Onchocerca volvulus 0.0057 0.0031 0.0086
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0057 0.0031 0.0205
Brugia malayi prolyl oligopeptidase family protein 0.007 0.0075 0.0223
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0098 0.0165 0.0506
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0057 0.0031 0.0205
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0456 0.1338 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0165 0.0506
Onchocerca volvulus CoRest homolog 0.0171 0.0403 0.1256
Echinococcus granulosus neuropeptide FF receptor 2 0.0057 0.0031 0.0205
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0057 0.0031 0.0083
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0057 0.0031 0.0205
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0098 0.0165 0.1204
Echinococcus granulosus cathepsin b 0.0137 0.0292 0.2155
Echinococcus multilocularis neuroendocrine convertase 2 0.0269 0.0726 0.541
Echinococcus granulosus Mastin 0.0098 0.0165 0.1204
Brugia malayi neuropeptide F receptor 0.0057 0.0031 0.0086
Loa Loa (eye worm) G-protein coupled receptor 0.0057 0.0031 0.0086
Schistosoma mansoni alpha-1 adrenergic receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0137 0.0292 0.0906
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1895 0.6047 0.5
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0456 0.1338 0.3524
Schistosoma mansoni growth hormone secretagogue receptor 0.0057 0.0031 0.0083
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0083 0.0116 0.1614
Echinococcus multilocularis neuropeptides capa receptor 0.0057 0.0031 0.0205
Schistosoma mansoni neuropeptide receptor 0.0057 0.0031 0.0083
Onchocerca volvulus 0.0057 0.0031 0.0086
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Giardia lamblia Furin precursor putative serine protease 0.0083 0.0116 0.3092
Brugia malayi Melatonin receptor type 1A 0.0057 0.0031 0.0086
Echinococcus granulosus endothelin converting enzyme 1 0.0094 0.0152 0.1111
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0057 0.0031 0.0083
Toxoplasma gondii peptidase family M13 protein 0.0094 0.0152 0.0078
Brugia malayi ORL1-like opioid receptor 0.0057 0.0031 0.0086
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni opsin-like receptor 0.0057 0.0031 0.0083
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0098 0.0165 0.1204
Schistosoma mansoni neuropeptide f receptor 76f 0.0057 0.0031 0.0083
Schistosoma mansoni furin-1 (S08 family) 0.0186 0.0455 0.1198
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.1208 0.3798 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus enteropeptidase 0.0098 0.0165 0.1204
Schistosoma mansoni amine GPCR 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Echinococcus granulosus biogenic amine 5HT receptor 0.0057 0.0031 0.0205
Echinococcus granulosus tm gpcr rhodopsin 0.0057 0.0031 0.0205
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Echinococcus multilocularis G-protein coupled receptor, putative 0.0057 0.0031 0.0205
Schistosoma mansoni neuropeptide F-like receptor 0.0057 0.0031 0.0083
Loa Loa (eye worm) hypothetical protein 0.0069 0.0072 0.0214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Onchocerca volvulus 0.0057 0.0031 0.0086
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.3103 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0057 0.0031 0.0205
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Schistosoma mansoni cercarial elastase (S01 family) 0.0098 0.0165 0.0434
Brugia malayi hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0069 0.0072 0.0214
Echinococcus multilocularis neuropeptide receptor A26 0.0057 0.0031 0.0205
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.026 0.0697 1
Brugia malayi SWIRM domain containing protein 0.0218 0.0559 0.1749
Plasmodium falciparum cysteine repeat modular protein 1 0.0241 0.0633 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0057 0.0031 0.0205
Echinococcus multilocularis transmembrane protease serine 3 0.0098 0.0165 0.1204
Loa Loa (eye worm) hypothetical protein 0.0069 0.0072 0.0214
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0116 0.1614
Echinococcus multilocularis g protein coupled receptor 0.0057 0.0031 0.0205
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Echinococcus granulosus rhodopsin orphan GPCR 0.0057 0.0031 0.0205
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0218 0.0559 0.1749
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0086
Schistosoma mansoni histamine h1 receptor 0.0057 0.0031 0.0083
Schistosoma mansoni amine GPCR 0.0057 0.0031 0.0083
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0057 0.0031 0.0205
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.0529 0.1655
Loa Loa (eye worm) G-protein coupled receptor 0.0057 0.0031 0.0086

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 64 ml/min.kg Plasma clearance in rat at 1 mg/kg, iv and 2 mg/kg, po ChEMBL. 17869513
Cmax (ADMET) = 0.072 uM Cmax in rat at 2 mg/kg, po ChEMBL. 17869513
F (ADMET) = 16 % Oral bioavailability in rat at 2 mg/kg, po ChEMBL. 17869513
IC50 (binding) = 0.0084 uM Inhibition of DPP4 ChEMBL. 17869513
IC50 (binding) = 0.0084 uM Inhibition of DPP4 ChEMBL. 17869513
IC50 (binding) = 0.57 uM Inhibition of DPP4 ChEMBL. 17869513
IC50 (binding) = 0.57 uM Inhibition of DPP4 ChEMBL. 17869513
IC50 (binding) = 20 uM Inhibition of QPP ChEMBL. 17869513
IC50 (binding) = 20 uM Inhibition of QPP ChEMBL. 17869513
IC50 (binding) = 46 uM Inhibition of QPP ChEMBL. 17869513
IC50 (binding) = 46 uM Inhibition of QPP ChEMBL. 17869513
IC50 (binding) = 70 uM Inhibition of DPP8 ChEMBL. 17869513
IC50 (binding) = 70 uM Inhibition of DPP8 ChEMBL. 17869513
IC50 (binding) = 100 uM Inhibition of DPP8 ChEMBL. 17869513
IC50 (binding) > 100 uM Inhibition of DPP9 ChEMBL. 17869513
IC50 (binding) = 100 uM Inhibition of DPP8 ChEMBL. 17869513
IC50 (binding) > 100 uM Inhibition of DPP9 ChEMBL. 17869513
t1/2 (ADMET) = 1.5 hr Half life in rat at 1 mg/kg, iv and 2 mg/kg, po ChEMBL. 17869513
Vdss (ADMET) = 6.5 L/Kg Volume of distribution at steady state in rat at 1 mg/kg, iv and 2 mg/kg, po ChEMBL. 17869513

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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