Detailed information for compound 323006

Basic information

Technical information
  • TDR Targets ID: 323006
  • Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-di hydro-1H-inden-1-ylamino)acetamide
  • MW: 391.549 | Formula: C25H33N3O
  • H donors: 2 H acceptors: 1 LogP: 3.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNC1CCc2c1cccc2)NCCC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C25H33N3O/c29-25(18-27-24-11-10-22-8-4-5-9-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,20,24,27H,10-19H2,(H,26,29)
  • InChiKey: WSTKGMMNAPDCJA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(1-benzyl-4-piperidyl)ethyl]-2-(indan-1-ylamino)acetamide
  • N-[2-(1-benzyl-4-piperidinyl)ethyl]-2-(1-indanylamino)acetamide
  • 2-(2,3-dihydro-1H-inden-1-ylamino)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]ethanamide
  • 2-(2,3-dihydro-1H-inden-1-ylamino)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]acetamide
  • 2-(indan-1-ylamino)-N-[2-[1-(phenylmethyl)-4-piperidyl]ethyl]acetamide
  • 2-(1-indanylamino)-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]acetamide
  • N-[2-[1-(benzyl)-4-piperidyl]ethyl]-2-(indan-1-ylamino)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Butyrylcholinesterase Starlite/ChEMBL References
Rattus norvegicus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 570 aa 25.4 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Onchocerca volvulus Acetylcholinesterase   614 aa 632 aa 25.6 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Brugia malayi Carboxylesterase family protein Butyrylcholinesterase   597 aa 537 aa 31.7 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 507 aa 26.4 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0092 0.2022 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0253 0.003
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus multilocularis acetylcholinesterase 0.0164 0.4019 0.4019
Echinococcus granulosus somatostatin receptor 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0092 0.2022 1
Loa Loa (eye worm) CYP4Cod1 0.0092 0.2022 0.3499
Brugia malayi larval opioid receptor 0.0069 0.1397 0.2106
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0253 0.0253
Entamoeba histolytica hypothetical protein 0.0042 0.0638 0.5
Echinococcus granulosus fmrfamide receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0092 0.2022 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0577 0.0975
Schistosoma mansoni biogenic amine receptor 0.0069 0.1397 0.1397
Echinococcus granulosus g-protein coupled receptor 0.0069 0.1397 0.1397
Plasmodium vivax SET domain protein, putative 0.0032 0.0385 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0069 0.1397 0.1397
Echinococcus granulosus biogenic amine 5HT receptor 0.0069 0.1397 0.1397
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) carboxylesterase 0.0028 0.0253 0.041
Brugia malayi GnHR receptor homolog 0.0069 0.1397 0.2106
Echinococcus multilocularis dro:myosuppressin receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus multilocularis neuropeptides capa receptor 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0092 0.2022 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0898 0.0898
Brugia malayi Carboxylesterase family protein 0.0028 0.0253 0.003
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0092 0.2022 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.095 0.095
Brugia malayi Carboxylesterase family protein 0.0164 0.4019 0.6867
Schistosoma mansoni growth hormone secretagogue receptor 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0092 0.2022 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Brugia malayi Tachykinin-like peptides receptor 99D 0.0069 0.1397 0.2106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0385 0.0385
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.095 0.095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.095 0.095
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Echinococcus multilocularis serotonin receptor 0.0069 0.1397 0.1397
Schistosoma mansoni hypothetical protein 0.038 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0092 0.2022 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Bromodomain containing protein 0.0081 0.1742 0.2734
Schistosoma mansoni zinc finger protein 0.0021 0.0076 0.0076
Leishmania major cytochrome p450-like protein 0.0092 0.2022 1
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0253 0.0253
Loa Loa (eye worm) melatonin receptor type 1A 0.0069 0.1397 0.2407
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1397 0.1397
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0253 0.0253
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0092 0.2022 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0092 0.2022 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0051 0.0898 0.1535
Echinococcus multilocularis neuropeptide Y receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus multilocularis fmrfamide receptor 0.0069 0.1397 0.1397
Echinococcus granulosus g protein coupled receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Schistosoma mansoni gliotactin 0.0028 0.0253 0.0253
Schistosoma mansoni neuropeptide receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1282 0.1282
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0092 0.2022 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.4019 0.6986
Echinococcus granulosus hypothetical protein 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.1429 0.6645
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Melatonin receptor type 1A 0.0069 0.1397 0.2106
Schistosoma mansoni hypothetical protein 0.0022 0.0108 0.0108
Brugia malayi Carboxylesterase family protein 0.0028 0.0253 0.003
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Brugia malayi ORL1-like opioid receptor 0.0069 0.1397 0.2106
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0058 0.1081 0.1856
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1081 0.1856
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0092 0.2022 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0092 0.2022 1
Leishmania major cytochrome p450-like protein 0.0092 0.2022 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1429 0.1429
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0638 0.0638
Schistosoma mansoni neuropeptide f receptor 76f 0.0069 0.1397 0.1397
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0069 0.1397 0.1397
Brugia malayi G protein-coupled receptor F59B2.13 0.0069 0.1397 0.2106
Schistosoma mansoni opsin-like receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) carboxylesterase 0.0028 0.0253 0.041
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0092 0.2022 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.4019 0.4019
Loa Loa (eye worm) cytochrome P450 family protein 0.0092 0.2022 0.3499
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0385 0.0385
Onchocerca volvulus 0.0069 0.1397 0.1799
Brugia malayi neuropeptide F receptor 0.0069 0.1397 0.2106
Echinococcus granulosus acetylcholinesterase 0.0164 0.4019 0.4019
Brugia malayi G-protein coupled receptor 0.0069 0.1397 0.2106
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0092 0.2022 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1282 0.1282
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0092 0.2022 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0069 0.1397 0.1397
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Onchocerca volvulus 0.0069 0.1397 0.1799
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus granulosus cytochrome P450 2K1 0.0092 0.2022 0.2022
Echinococcus granulosus carboxylesterase 5A 0.0164 0.4019 0.4019
Echinococcus granulosus acetylcholinesterase 0.0164 0.4019 0.4019
Trichomonas vaginalis set domain proteins, putative 0.0257 0.661 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0165 0.0165
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0069 0.1397 0.1397
Brugia malayi hypothetical protein 0.0042 0.0638 0.0728
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0069 0.1397 0.1397
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0069 0.1397 0.1397
Brugia malayi cytochrome P450 0.0092 0.2022 0.3242
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1397 0.1397
Schistosoma mansoni hypothetical protein 0.0069 0.1397 0.1397
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0069 0.1397 0.1397
Schistosoma mansoni neuropeptide F-like receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0069 0.1397 0.1397
Echinococcus multilocularis neuropeptides capa receptor 0.0069 0.1397 0.1397
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0069 0.1397 0.1799
Echinococcus granulosus neuropeptide Y receptor 0.0069 0.1397 0.1397
Toxoplasma gondii cytochrome p450 superfamily protein 0.0092 0.2022 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0253 0.0253
Onchocerca volvulus 0.0069 0.1397 0.1799
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0092 0.2022 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0069 0.1397 0.1397
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Schistosoma mansoni hypothetical protein 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Dopamine receptor 0.0069 0.1397 0.2106
Echinococcus granulosus neuropeptides capa receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium leprae putative cytochrome p450 0.0092 0.2022 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1397 0.1397
Onchocerca volvulus 0.0032 0.0385 0.0207
Echinococcus granulosus sex peptide receptor 0.0069 0.1397 0.1397
Trypanosoma cruzi cytochrome P450, putative 0.0092 0.2022 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Schistosoma mansoni myosin xvIII 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0092 0.2022 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0638 0.0638
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Schistosoma mansoni acetylcholinesterase 0.0028 0.0253 0.0253
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Brugia malayi Dopamine receptor protein 1 0.0069 0.1397 0.2106
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0069 0.1397 0.2407
Schistosoma mansoni hypothetical protein 0.0092 0.2022 0.2022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1081 0.1534
Echinococcus granulosus neuropeptide receptor A26 0.0069 0.1397 0.1397
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Schistosoma mansoni cytochrome P450 0.0092 0.2022 0.2022
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0069 0.1397 0.1397
Echinococcus multilocularis neuropeptide s receptor 0.0069 0.1397 0.1397
Echinococcus granulosus biogenic amine 5HT receptor 0.0069 0.1397 0.1397
Schistosoma mansoni adenoreceptor 0.0069 0.1397 0.1397
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1397 0.1397
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0046 0.077 0.1312
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0069 0.1397 0.1397
Echinococcus granulosus neuropeptide receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.1397 0.2407
Onchocerca volvulus 0.0069 0.1397 0.1799
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0069 0.1397 0.2407
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0898 0.0898
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0092 0.2022 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0092 0.2022 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0092 0.2022 1
Echinococcus granulosus neuropeptide receptor 0.0069 0.1397 0.1397
Echinococcus granulosus allatostatin A receptor 0.0069 0.1397 0.1397
Brugia malayi AKH receptor 0.0069 0.1397 0.2106
Schistosoma mansoni neuropeptide F-like receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1429 0.1429
Schistosoma mansoni opsin-like receptor 0.0069 0.1397 0.1397
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0069 0.1397 0.1397
Brugia malayi G protein-coupled receptor 0.0069 0.1397 0.2106
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0069 0.1397 0.1397
Echinococcus granulosus tachykinin peptides receptor 99D 0.0069 0.1397 0.1397
Leishmania major cytochrome p450-like protein 0.0092 0.2022 1
Echinococcus multilocularis neuropeptide receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0385 0.0385
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0253 0.0253
Onchocerca volvulus 0.0069 0.1397 0.1799
Brugia malayi Bromodomain containing protein 0.0042 0.0639 0.0731
Trypanosoma cruzi cytochrome P450, putative 0.0092 0.2022 0.5
Echinococcus multilocularis acetylcholinesterase 0.0164 0.4019 0.4019
Brugia malayi Cytochrome P450 family protein 0.0092 0.2022 0.3242
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1397 0.1397
Echinococcus granulosus 7tm_1 domain containing protein 0.0069 0.1397 0.1397
Schistosoma mansoni amine GPCR 0.0069 0.1397 0.1397
Brugia malayi follicle stimulating hormone receptor 0.0069 0.1397 0.2106
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0092 0.2022 1
Schistosoma mansoni histamine h1 receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0092 0.2022 1
Echinococcus multilocularis fmrfamide receptor 0.0069 0.1397 0.1397
Onchocerca volvulus 0.0069 0.1397 0.1799
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0092 0.2022 1
Echinococcus granulosus G protein coupled receptor 139 0.0069 0.1397 0.1397
Schistosoma mansoni neuropeptide receptor 0.0069 0.1397 0.1397
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1397 0.1397
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1397 0.1397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.095 0.095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.095 0.095
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) carboxylesterase 0.0164 0.4019 0.6986
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1429 0.1429
Echinococcus multilocularis sex peptide receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis neuropeptide receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Entamoeba histolytica hypothetical protein 0.0042 0.0638 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0069 0.1397 0.2106
Echinococcus granulosus zinc finger protein 0.0021 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0077 0.1614 0.2786
Brugia malayi hypothetical protein 0.0028 0.0253 0.003
Loa Loa (eye worm) cytochrome P450 0.0092 0.2022 0.3499
Brugia malayi putative neuropeptide receptor 0.0069 0.1397 0.2106
Loa Loa (eye worm) hypothetical protein 0.0042 0.0641 0.1087
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.5745 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0092 0.2022 1
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus granulosus serotonin receptor 0.0069 0.1397 0.1397
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0069 0.1397 0.2106
Echinococcus multilocularis G protein coupled receptor 139 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0092 0.2022 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.095 0.1626
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) cytochrome P450 family protein 0.0092 0.2022 0.3499
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0092 0.2022 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1429 0.6645
Schistosoma mansoni amine GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0069 0.1397 0.2407
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0092 0.2022 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0069 0.1397 0.1397
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus granulosus neuroligin 0.0028 0.0253 0.0253
Echinococcus multilocularis neuropeptide FF receptor 2 0.0069 0.1397 0.1397
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0092 0.2022 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0044 0.0712 0.1211
Schistosoma mansoni biogenic amine (5HT) receptor 0.0069 0.1397 0.1397
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0069 0.1397 0.2106
Onchocerca volvulus 0.0069 0.1397 0.1799
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0638 0.0638
Echinococcus multilocularis G-protein coupled receptor, putative 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0092 0.2022 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0069 0.1397 0.1397
Brugia malayi Cytochrome P450 family protein 0.0092 0.2022 0.3242
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Entamoeba histolytica hypothetical protein 0.0042 0.0638 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1081 0.1534
Echinococcus granulosus orexin receptor type 2 0.0069 0.1397 0.1397
Echinococcus granulosus neuropeptide s receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0092 0.2022 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0253 0.0253
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0069 0.1397 0.2106
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0069 0.1397 0.1397
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0108 0.0156
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0092 0.2022 1
Schistosoma mansoni neuropeptide receptor 0.0069 0.1397 0.1397
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0092 0.2022 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0898 0.0898
Loa Loa (eye worm) cytochrome P450 family protein 0.0092 0.2022 0.3499
Schistosoma mansoni biogenic amine (5HT) receptor 0.0069 0.1397 0.1397
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1429 0.1429
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0253 0.0253
Echinococcus multilocularis neuroligin 0.0028 0.0253 0.0253
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0092 0.2022 1
Echinococcus granulosus dro:myosuppressin receptor 0.0069 0.1397 0.1397
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0898 0.0898
Schistosoma mansoni biogenic amine receptor 0.0069 0.1397 0.1397
Onchocerca volvulus 0.0257 0.661 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis neuropeptide Y receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0568 0.0568
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus multilocularis orexin receptor type 2 0.0069 0.1397 0.1397
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis zinc finger protein 0.0021 0.0076 0.0076
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1429 0.6645
Brugia malayi Pre-SET motif family protein 0.0032 0.0385 0.027
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.1397 0.2407
Echinococcus multilocularis geminin 0.038 1 1
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1397 0.1397
Echinococcus granulosus peptide allatostatin:somatostatin 0.0069 0.1397 0.1397
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0069 0.1397 0.1397
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.095 0.1295
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0092 0.2022 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0253 0.0253
Schistosoma mansoni amine GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium leprae Conserved hypothetical protein 0.0092 0.2022 0.5
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0092 0.2022 1
Schistosoma mansoni bromodomain containing protein 0.0069 0.139 0.139
Brugia malayi sulfakinin receptor protein 0.0069 0.1397 0.2106
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1397 0.1397
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0092 0.2022 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0092 0.2022 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0092 0.2022 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0092 0.2022 1
Brugia malayi RE15519p 0.0069 0.1397 0.2106
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0069 0.1397 0.2106
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus multilocularis 0.0092 0.2022 0.2022
Brugia malayi neuropeptide F receptor 0.0069 0.1397 0.2106
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0069 0.1397 0.1397
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1429 0.6645
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1429 0.6375
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0253 0.0253
Schistosoma mansoni biogenic amine receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.1397 0.2407
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0568 0.0568
Brugia malayi Carboxylesterase family protein 0.0028 0.0253 0.003
Onchocerca volvulus Neuropeptide F receptor homolog 0.0069 0.1397 0.1799
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0092 0.2022 1
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.4019 0.4019
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0092 0.2022 1
Onchocerca volvulus 0.0069 0.1397 0.1799
Trypanosoma brucei cytochrome P450, putative 0.0092 0.2022 0.5
Onchocerca volvulus 0.0069 0.1397 0.1799
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0069 0.1397 0.1397
Schistosoma mansoni hypothetical protein 0.0039 0.0577 0.0577
Echinococcus multilocularis serotonin receptor 0.0069 0.1397 0.1397
Echinococcus granulosus neuropeptides capa receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0164 0.4019 0.6986
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0092 0.2022 1
Onchocerca volvulus 0.0069 0.1397 0.1799
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Pre-SET motif family protein 0.0226 0.5745 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1397 0.1397
Brugia malayi Cytochrome P450 family protein 0.0092 0.2022 0.3242
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi hypothetical protein 0.0069 0.1397 0.2106
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0069 0.1397 0.1397
Loa Loa (eye worm) TYRA-2 protein 0.0069 0.1397 0.2407
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1397 0.1397
Schistosoma mansoni hypothetical protein 0.0069 0.1397 0.1397
Brugia malayi putative neuropeptide receptor NPR1 0.0069 0.1397 0.2106
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0352 0.0352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.095 0.095
Echinococcus granulosus alpha 1A adrenergic receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.1397 0.2407
Schistosoma mansoni hypothetical protein 0.038 1 1
Schistosoma mansoni opsin-like receptor 0.0069 0.1397 0.1397
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1397 0.1397
Schistosoma mansoni neuropeptide receptor 0.0069 0.1397 0.1397
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0069 0.1397 0.1397
Echinococcus granulosus 7TM GPCR rhodopsin 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0164 0.4019 0.6986
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0165 0.0165
Brugia malayi Cytochrome P450 family protein 0.0092 0.2022 0.3242
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Carboxylesterase family protein 0.0164 0.4019 0.6867
Onchocerca volvulus 0.0069 0.1397 0.1799
Brugia malayi Serotonin receptor 0.0069 0.1397 0.2106
Loa Loa (eye worm) hypothetical protein 0.0028 0.0253 0.041
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0577 0.0618
Echinococcus multilocularis somatostatin receptor 0.0069 0.1397 0.1397
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Echinococcus granulosus g protein coupled receptor 0.0069 0.1397 0.1397
Brugia malayi G-protein coupled receptor 0.0069 0.1397 0.2106
Schistosoma mansoni amine GPCR 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Brugia malayi Dopamine receptor protein 2 0.0069 0.1397 0.2106
Onchocerca volvulus 0.0069 0.1397 0.1799
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0092 0.2022 1
Entamoeba histolytica hypothetical protein 0.0042 0.0638 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.095 0.095
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0092 0.2022 1
Brugia malayi Serotonin receptor 0.0069 0.1397 0.2106
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis allatostatin A receptor 0.0069 0.1397 0.1397
Echinococcus granulosus g protein coupled receptor 0.0069 0.1397 0.1397
Echinococcus multilocularis g-protein coupled receptor 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0092 0.2022 1
Schistosoma mansoni hypothetical protein 0.0042 0.0638 0.0638
Schistosoma mansoni amine GPCR 0.0069 0.1397 0.1397
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0069 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.0069 0.1397 0.2407
Echinococcus multilocularis neuropeptide receptor A26 0.0069 0.1397 0.1397
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0092 0.2022 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 230 nM Inhibitory concentration against rat cortex Acetylcholinesterase ChEMBL. 15324879
IC50 (binding) = 230 nM Inhibitory concentration against rat cortex Acetylcholinesterase ChEMBL. 15324879
IC50 (binding) = 6920 nM Inhibitory concentration against rat serum Butyrylcholinesterase ChEMBL. 15324879
IC50 (binding) = 6920 nM Inhibitory concentration against rat serum Butyrylcholinesterase ChEMBL. 15324879
Selectivity (binding) = 30.1 Selectivity for Acetylcholinesterase and butyrylcholinesterase ChEMBL. 15324879

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.