Detailed information for compound 112345

Basic information

Technical information
  • TDR Targets ID: 112345
  • Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcar bamoyl)-1-phenyloctan-2-yl]quinoline-3-carbox amide
  • MW: 447.569 | Formula: C27H33N3O3
  • H donors: 3 H acceptors: 4 LogP: 4.2 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)[C@@H](C[C@@H]([C@@H](NC(=O)c1cnc2c(c1)cccc2)Cc1ccccc1)O)CC(C)C
  • InChi: 1S/C27H33N3O3/c1-18(2)13-21(26(32)28-3)16-25(31)24(14-19-9-5-4-6-10-19)30-27(33)22-15-20-11-7-8-12-23(20)29-17-22/h4-12,15,17-18,21,24-25,31H,13-14,16H2,1-3H3,(H,28,32)(H,30,33)/t21-,24+,25+/m1/s1
  • InChiKey: DRZUORMUNFTKQD-ZODMCCGTSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]quinoline-3-carboxamide
  • N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]-3-quinolinecarboxamide
  • N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyl-octan-2-yl]quinoline-3-carboxamide
  • N-[(1S,2S,4R)-2-hydroxy-6-methyl-4-(methylcarbamoyl)-1-(phenylmethyl)heptyl]quinoline-3-carboxamide
  • N-[(1S,2S,4R)-2-hydroxy-6-methyl-4-(methylcarbamoyl)-1-(phenylmethyl)heptyl]-3-quinolinecarboxamide
  • N-[(1S,2S,4R)-1-(benzyl)-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]quinoline-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein chemokine (C-C motif) receptor 1 355 aa 289 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0261 0.2861 1
Echinococcus granulosus g-protein coupled receptor 0.021 0.2201 0.2201
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine (dopamine) receptor 0.021 0.2201 0.2201
Echinococcus granulosus alpha 1A adrenergic receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis dro:myosuppressin receptor 0.021 0.2201 0.2201
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0069 0.0351 0.1228
Echinococcus granulosus neuropeptide receptor 0.021 0.2201 0.2201
Echinococcus multilocularis neuropeptides capa receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi AKH receptor 0.021 0.2201 0.7694
Brugia malayi Peptidase family C54 containing protein 0.0069 0.0351 0.1228
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus granulosus neuropeptide s receptor 0.0748 0.9235 0.9235
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0261 0.2861 1
Echinococcus multilocularis snurportin 1 0.036 0.4156 0.4156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis fmrfamide receptor 0.021 0.2201 0.2201
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.021 0.2201 0.2201
Schistosoma mansoni opsin-like receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni opsin-like receptor 0.021 0.2201 0.2201
Echinococcus granulosus sex peptide receptor 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine (dopamine) receptor 0.021 0.2201 0.2201
Echinococcus granulosus somatostatin receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.0237 0.2556 0.4169
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine receptor 0.021 0.2201 0.2201
Echinococcus granulosus biogenic amine 5HT receptor 0.021 0.2201 0.2201
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0261 0.2861 0.2861
Brugia malayi follicle stimulating hormone receptor 0.021 0.2201 0.7694
Brugia malayi Melatonin receptor type 1A 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.021 0.2201 0.2201
Echinococcus multilocularis cysteine protease atg4b 0.0069 0.0351 0.0351
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Onchocerca volvulus 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus hypothetical protein 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.021 0.2201 0.2201
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0069 0.0351 0.1228
Onchocerca volvulus 0.021 0.2201 0.359
Echinococcus multilocularis neuropeptide Y receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni peptide (allatostatin)-like receptor 0.021 0.2201 0.2201
Brugia malayi larval opioid receptor 0.021 0.2201 0.7694
Mycobacterium ulcerans hypothetical protein 0.0042 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0042 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Echinococcus multilocularis G protein coupled receptor 139 0.021 0.2201 0.2201
Brugia malayi Serotonin/octopamine receptor family protein 7 0.021 0.2201 0.7694
Echinococcus granulosus serotonin receptor 0.021 0.2201 0.2201
Mycobacterium ulcerans beta-lactamase 0.0042 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.021 0.2201 0.359
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.021 0.2201 0.7694
Onchocerca volvulus Neuropeptide F receptor homolog 0.021 0.2201 0.359
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.021 0.2201 0.2201
Schistosoma mansoni hypothetical protein 0.0198 0.204 0.204
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Echinococcus granulosus tm gpcr rhodopsin 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus cysteine protease atg4b 0.0069 0.0351 0.0351
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.0069 0.0351 0.0573
Brugia malayi putative neuropeptide receptor 0.021 0.2201 0.7694
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.2966 1
Echinococcus multilocularis fmrfamide receptor 0.021 0.2201 0.2201
Echinococcus multilocularis serotonin receptor 0.021 0.2201 0.2201
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0261 0.2861 1
Onchocerca volvulus 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.0108 0.0856 0.1397
Echinococcus multilocularis Peptidase C54 0.0069 0.0351 0.0351
Echinococcus granulosus Peptidase C54 0.0069 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) neuropeptide F receptor 0.021 0.2201 0.359
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0261 0.2861 1
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni autophagin-1 (C54 family) 0.0069 0.0351 0.0351
Brugia malayi gonadotropin-releasing hormone receptor 2 0.021 0.2201 0.7694
Echinococcus granulosus allatostatin A receptor 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine (dopamine) receptor 0.021 0.2201 0.2201
Echinococcus multilocularis g protein coupled receptor 0.021 0.2201 0.2201
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Schistosoma mansoni hypothetical protein 0.021 0.2201 0.2201
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.021 0.2201 0.7694
Echinococcus multilocularis somatostatin receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0069 0.0351 0.1228
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0261 0.2861 0.4666
Echinococcus granulosus fmrfamide receptor 0.021 0.2201 0.2201
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi GnHR receptor homolog 0.021 0.2201 0.7694
Schistosoma mansoni microtubule-associated protein tau 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0198 0.2035 0.2035
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.021 0.2201 0.2201
Loa Loa (eye worm) TYRA-2 protein 0.021 0.2201 0.359
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Brugia malayi G protein-coupled receptor 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus neuropeptides capa receptor 0.021 0.2201 0.2201
Echinococcus granulosus tm gpcr rhodopsin 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0 0.5
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus multilocularis neuropeptides capa receptor 0.021 0.2201 0.2201
Echinococcus multilocularis biogenic amine (5HT) receptor 0.021 0.2201 0.2201
Echinococcus multilocularis neuropeptide FF receptor 2 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.0511 0.6131 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.021 0.2201 0.2201
Schistosoma mansoni neuropeptide F-like receptor 0.021 0.2201 0.2201
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Onchocerca volvulus Phospholipase A2 homolog 0.0108 0.0856 0.1397
Schistosoma mansoni neuropeptide receptor 0.021 0.2201 0.2201
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0069 0.0351 0.0351
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus granulosus peptide allatostatin:somatostatin 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi Dopamine receptor protein 2 0.021 0.2201 0.7694
Echinococcus multilocularis tachykinin peptides receptor 99D 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus snurportin 1 0.036 0.4156 0.4156
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.021 0.2201 0.2201
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni myosin xvIII 0.021 0.2201 0.2201
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.021 0.2201 0.2201
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.021 0.2201 0.2201
Echinococcus granulosus geminin 0.0198 0.204 0.204
Brugia malayi G protein-coupled receptor F59B2.13 0.021 0.2201 0.7694
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Echinococcus multilocularis neuropeptide s receptor 0.0748 0.9235 0.9235
Echinococcus multilocularis serotonin receptor 0.021 0.2201 0.2201
Schistosoma mansoni neuropeptide f receptor 76f 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni growth hormone secretagogue receptor 0.021 0.2201 0.2201
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Onchocerca volvulus 0.021 0.2201 0.359
Brugia malayi Dopamine receptor protein 1 0.021 0.2201 0.7694
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) follicle stimulating hormone receptor 0.021 0.2201 0.359
Echinococcus multilocularis g protein coupled receptor 0.021 0.2201 0.2201
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0261 0.2861 1
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0069 0.0351 0.1228
Schistosoma mansoni biogenic amine (5HT) receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.021 0.2201 0.2201
Schistosoma mansoni amine GPCR 0.021 0.2201 0.2201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0198 0.2035 0.2035
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.021 0.2201 0.2201
Echinococcus multilocularis neuropeptide receptor 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Echinococcus multilocularis g protein coupled receptor 0.021 0.2201 0.2201
Schistosoma mansoni amine GPCR 0.021 0.2201 0.2201
Echinococcus granulosus 7tm_1 domain containing protein 0.021 0.2201 0.2201
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0261 0.2861 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.036 0.4156 0.6778
Schistosoma mansoni hypothetical protein 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi Serotonin receptor 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi neuropeptide F receptor 0.021 0.2201 0.7694
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0261 0.2861 1
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi neuropeptide F receptor 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis neuropeptide receptor A26 0.0748 0.9235 0.9235
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine receptor 0.021 0.2201 0.2201
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0212 0.074
Mycobacterium leprae Probable lipase LipE 0.0042 0 0.5
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0261 0.2861 0.2861
Brugia malayi Phospholipase A2 family protein 0.0108 0.0856 0.2993
Echinococcus granulosus tm gpcr rhodopsin 0.021 0.2201 0.2201
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.021 0.2201 0.359
Echinococcus multilocularis allatostatin A receptor 0.021 0.2201 0.2201
Echinococcus multilocularis geminin 0.0198 0.204 0.204
Onchocerca volvulus 0.021 0.2201 0.359
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0212 0.0345
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.021 0.2201 0.2201
Echinococcus granulosus 7TM GPCR rhodopsin 0.021 0.2201 0.2201
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0 0.5
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0261 0.2861 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus multilocularis microtubule associated protein 2 0.0806 1 1
Echinococcus granulosus neuropeptides capa receptor 0.021 0.2201 0.2201
Brugia malayi Serotonin receptor 0.021 0.2201 0.7694
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0261 0.2861 0.4666
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0069 0.0351 0.1228
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.021 0.2201 0.2201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0237 0.2556 0.8936
Onchocerca volvulus 0.021 0.2201 0.359
Onchocerca volvulus 0.021 0.2201 0.359
Schistosoma mansoni amine GPCR 0.021 0.2201 0.2201
Echinococcus granulosus g protein coupled receptor 0.021 0.2201 0.2201
Brugia malayi putative neuropeptide receptor NPR1 0.021 0.2201 0.7694
Schistosoma mansoni neuropeptide F-like receptor 0.021 0.2201 0.2201
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0069 0.0351 0.1228
Echinococcus granulosus neuropeptide FF receptor 2 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi RNA, U transporter 1 0.0096 0.0703 0.2458
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Echinococcus granulosus biogenic amine 5HT receptor 0.021 0.2201 0.2201
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0261 0.2861 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine (5HT) receptor 0.021 0.2201 0.2201
Brugia malayi Tachykinin-like peptides receptor 99D 0.021 0.2201 0.7694
Schistosoma mansoni neuropeptide receptor 0.021 0.2201 0.2201
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0069 0.0351 0.0351
Echinococcus granulosus neuropeptide Y receptor 0.021 0.2201 0.2201
Schistosoma mansoni amine GPCR 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Echinococcus multilocularis neuropeptide receptor 0.021 0.2201 0.2201
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Schistosoma mansoni hypothetical protein 0.036 0.4156 0.4156
Schistosoma mansoni neuropeptide receptor 0.021 0.2201 0.2201
Brugia malayi sulfakinin receptor protein 0.021 0.2201 0.7694
Echinococcus granulosus G protein coupled receptor 139 0.021 0.2201 0.2201
Schistosoma mansoni amine GPCR 0.021 0.2201 0.2201
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0261 0.2861 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.021 0.2201 0.2201
Brugia malayi ORL1-like opioid receptor 0.021 0.2201 0.7694
Echinococcus granulosus orexin receptor type 2 0.021 0.2201 0.2201
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) neuropeptide F receptor 0.021 0.2201 0.359
Schistosoma mansoni biogenic amine receptor 0.021 0.2201 0.2201
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0261 0.2861 0.2861
Echinococcus multilocularis sex peptide receptor 0.021 0.2201 0.2201
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Onchocerca volvulus 0.021 0.2201 0.359
Schistosoma mansoni hypothetical protein 0.021 0.2201 0.2201
Schistosoma mansoni neuropeptide receptor 0.021 0.2201 0.2201
Brugia malayi G-protein coupled receptor 0.021 0.2201 0.7694
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0261 0.2861 1
Onchocerca volvulus Phospholipase A2 homolog 0.0511 0.6131 1
Echinococcus granulosus g protein coupled receptor 0.021 0.2201 0.2201
Schistosoma mansoni adenoreceptor 0.021 0.2201 0.2201
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.021 0.2201 0.2201
Schistosoma mansoni hypothetical protein 0.0198 0.204 0.204
Echinococcus granulosus thyrotropin releasing hormone receptor 0.021 0.2201 0.2201
Echinococcus multilocularis rhodopsin orphan GPCR 0.021 0.2201 0.2201
Brugia malayi G-protein coupled receptor 0.021 0.2201 0.7694
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Brugia malayi Dopamine receptor 0.021 0.2201 0.7694
Echinococcus multilocularis neuropeptide Y receptor 0.021 0.2201 0.2201
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0069 0.0351 0.1228
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus g protein coupled receptor 0.021 0.2201 0.2201
Echinococcus multilocularis alpha 1A adrenergic receptor 0.021 0.2201 0.2201
Brugia malayi RE15519p 0.021 0.2201 0.7694
Echinococcus granulosus neuropeptide receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis g-protein coupled receptor 0.021 0.2201 0.2201
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis G-protein coupled receptor, putative 0.021 0.2201 0.2201
Schistosoma mansoni alpha-1 adrenergic receptor 0.021 0.2201 0.2201
Schistosoma mansoni opsin-like receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus rhodopsin orphan GPCR 0.021 0.2201 0.2201
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.021 0.2201 0.2201
Schistosoma mansoni hypothetical protein 0.021 0.2201 0.2201
Loa Loa (eye worm) G-protein coupled receptor 0.021 0.2201 0.359
Mycobacterium ulcerans lipase LipD 0.0042 0 0.5
Schistosoma mansoni histamine h1 receptor 0.021 0.2201 0.2201
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.021 0.2201 0.2201
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0261 0.2861 1
Echinococcus granulosus neuropeptide Y receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus multilocularis orexin receptor type 2 0.021 0.2201 0.2201
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.021 0.2201 0.2201
Echinococcus granulosus dro:myosuppressin receptor 0.021 0.2201 0.2201
Loa Loa (eye worm) hypothetical protein 0.021 0.2201 0.359
Echinococcus granulosus tachykinin peptides receptor 99D 0.021 0.2201 0.2201
Loa Loa (eye worm) melatonin receptor type 1A 0.021 0.2201 0.359
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0069 0.0351 0.1228
Brugia malayi hypothetical protein 0.021 0.2201 0.7694
Echinococcus granulosus neuropeptide receptor A26 0.0748 0.9235 0.9235

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.46 uM Inhibition of CCL3 induced chemotaxis in THP-1 cells ChEMBL. 15081001
IC50 (functional) = 0.46 uM Inhibition of CCL3 induced chemotaxis in THP-1 cells ChEMBL. 15081002
IC50 (functional) = 0.46 uM Inhibition of CCL3 induced chemotaxis in THP-1 cells ChEMBL. 15081001
IC50 (functional) = 0.46 uM Inhibition of CCL3 induced chemotaxis in THP-1 cells ChEMBL. 15081002
IC50 (binding) = 0.65 uM Inhibition of CCL3 binding to C-C chemokine receptor type 1 ChEMBL. 15081001
IC50 (binding) = 0.65 uM Inhibition of CCL3 binding to C-C chemokine receptor type 1 ChEMBL. 15081002
IC50 (binding) = 0.65 uM Inhibition of CCL3 binding to C-C chemokine receptor type 1 ChEMBL. 15081001
IC50 (binding) = 0.65 uM Inhibition of CCL3 binding to C-C chemokine receptor type 1 ChEMBL. 15081002

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15081001

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

2 literature references were collected for this gene.

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