Detailed information for compound 221687

Basic information

Technical information
  • TDR Targets ID: 221687
  • Name: 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene- 3,4'-piperidine]-1'-ylbutan-1-one
  • MW: 351.457 | Formula: C23H26FNO
  • H donors: 0 H acceptors: 1 LogP: 4.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)CCc1c2cccc1
  • InChi: 1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2
  • InChiKey: DGDSZKSHJGFASX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-fluorophenyl)-4-spiro[indane-1,4'-piperidine]-1'-yl-butan-1-one
  • 1-(4-fluorophenyl)-4-(1'-spiro[indane-1,4'-piperidine]yl)-1-butanone
  • 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-butan-1-one
  • 1-(4-fluorophenyl)-4-(1'-spiro[indane-1,4'-piperidine]yl)butan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 18 (vesicular acetylcholine transporter), member 3 Starlite/ChEMBL References
Homo sapiens sigma non-opioid intracellular receptor 1 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_131051 All targets in OG5_131051
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Abnormal catecholamine distribution protein 1 solute carrier family 18 (vesicular acetylcholine transporter), member 3 532 aa 504 aa 34.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.003
Schistosoma mansoni smad 0.0009 0.003 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0248 0.0439
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.008 0.0134
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0273 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.008 0.0134
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.008 0.0134
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0025 0.0397 0.0669
Brugia malayi Smad1 0.0009 0.003 0.003
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.002 0.0273 0.0273
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.008 0.0134
Echinococcus multilocularis lamin dm0 0.003 0.0507 0.0855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.008 0.008
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0425 1
Brugia malayi nuclear hormone receptor 0.0011 0.008 0.008
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0736 0.0736
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0248 0.0439
Trichomonas vaginalis spcc417.12 protein, putative 0.0025 0.0397 0.5393
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0425 0.5766
Echinococcus multilocularis carboxylesterase 5A 0.0148 0.3218 0.5423
Echinococcus granulosus smad 0.0009 0.003 0.005
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0153 0.0259
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.008 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.008 0.008
Brugia malayi beta-lactamase family protein 0.004 0.0736 0.0736
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0736 0.1302
Echinococcus granulosus FTZ F1 alpha 0.0011 0.008 0.0134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0983 0.1657
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.008 0.008
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.008 0.0134
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.008 0.0134
Onchocerca volvulus 0.0011 0.008 0.0134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.3218 0.5423
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.008 0.008
Brugia malayi MH2 domain containing protein 0.0132 0.285 0.285
Brugia malayi beta-lactamase family protein 0.004 0.0736 0.0736
Echinococcus multilocularis neuroligin 0.0025 0.0397 0.0669
Mycobacterium leprae Probable lipase LipE 0.004 0.0736 1
Echinococcus granulosus lamin 0.003 0.0507 0.0855
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0425 0.0751
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 0.5934 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.008 0.008
Brugia malayi intermediate filament protein 0.003 0.0507 0.0507
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.005
Mycobacterium leprae conserved hypothetical protein 0.004 0.0736 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.3218 0.3218
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0736 0.0736
Echinococcus granulosus BC026374 protein S09 family 0.0025 0.0397 0.0669
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0983 0.1657
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0736 0.1241
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.5655 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.008 0.008
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.008 0.008
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.008 0.008
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 0.5934 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.003 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0983 0.1657
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.005
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.008 0.008
Brugia malayi vesicular acetylcholine transporter unc-17 0.0267 0.5934 0.5934
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0736 0.1302
Echinococcus granulosus neuroligin 0.0025 0.0397 0.0669
Echinococcus multilocularis Smad4 0.0009 0.003 0.005
Schistosoma mansoni thyroid hormone receptor 0.0011 0.008 0.0134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0397 0.0669
Loa Loa (eye worm) hypothetical protein 0.0029 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0014 0.0141 0.0141
Onchocerca volvulus 0.004 0.0736 0.1241
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.008 0.0134
Echinococcus multilocularis acetylcholinesterase 0.0148 0.3218 0.5423
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 0.5934 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.008 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.008 0.008
Echinococcus multilocularis BC026374 protein (S09 family) 0.0025 0.0397 0.0669
Onchocerca volvulus 0.0026 0.0425 0.0716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0983 0.1657
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.008 0.0134
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0425 0.5766
Schistosoma mansoni intermediate filament proteins 0.003 0.0507 0.0855
Echinococcus granulosus acetylcholinesterase 0.0148 0.3218 0.5423
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0736 0.1302
Schistosoma mansoni neuroligin 3 (S09 family) 0.0025 0.0397 0.0669
Loa Loa (eye worm) carboxylesterase 0.0025 0.0397 0.0397
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0736 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.003 0.005
Echinococcus granulosus para nitrobenzyl esterase 0.0025 0.0397 0.0669
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0983 0.1657
Schistosoma mansoni coup transcription factor 0.0011 0.008 0.0134
Toxoplasma gondii ABC1 family protein 0.004 0.0736 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0397 0.0702
Brugia malayi beta-lactamase 0.004 0.0736 0.0736
Onchocerca volvulus 0.003 0.0507 0.0855
Leishmania major C-8 sterol isomerase-like protein 0.0445 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.008 0.008
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0425 0.5766
Echinococcus multilocularis smad 0.0009 0.003 0.005
Loa Loa (eye worm) hypothetical protein 0.0227 0.5025 0.5025
Brugia malayi nuclear receptor NHR-88 0.0011 0.008 0.008
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0425 0.0751
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0736 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0.0397 0.5393
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.008 0.0134
Loa Loa (eye worm) hypothetical protein 0.002 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0026 0.0425 0.0425
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0248 0.0439
Loa Loa (eye worm) hypothetical protein 0.0026 0.0425 0.0425
Echinococcus multilocularis musashi 0.003 0.0507 0.0855
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.003 0.005
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0425 0.0425
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0025 0.0397 0.5393
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Schistosoma mansoni nuclear hormone receptor 0.0011 0.008 0.0134
Echinococcus granulosus Smad4 0.0009 0.003 0.005
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0425 0.5766
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0425 0.5766
Onchocerca volvulus 0.003 0.0507 0.0855
Schistosoma mansoni gliotactin 0.0025 0.0397 0.0669
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0983 0.0983
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.008 0.0134
Mycobacterium tuberculosis Conserved protein 0.004 0.0736 0.1302
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.008 0.0134
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0273 0.3703
Onchocerca volvulus 0.004 0.0736 0.1241
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.285 0.285
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.008 0.008
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0736 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0397 0.0669
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.008 0.008
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.008 0.0134
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.003 0.005
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 0.5934 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0425 0.0425
Brugia malayi ecdysteroid receptor 0.0011 0.008 0.008
Schistosoma mansoni BC026374 protein (S09 family) 0.0025 0.0397 0.0669
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0425 0.5766
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0983 0.0983
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0736 0.1302
Brugia malayi Carboxylesterase family protein 0.0025 0.0397 0.0397
Loa Loa (eye worm) beta-lactamase 0.004 0.0736 0.0736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0983 0.1657
Schistosoma mansoni lamin 0.003 0.0507 0.0855
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.008 0.0134
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 0.5934 0.5934
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.285 0.285
Onchocerca volvulus 0.0025 0.0397 0.0669
Schistosoma mansoni thyroid hormone receptor 0.0011 0.008 0.0134
Echinococcus granulosus carboxylesterase 5A 0.0148 0.3218 0.5423
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.008 0.008
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0397 0.0702
Loa Loa (eye worm) hypothetical protein 0.0148 0.3218 0.3218
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0736 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0507 0.0507
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.008 0.0134
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0507 0.0507
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.008 0.0134
Loa Loa (eye worm) hypothetical protein 0.002 0.0273 0.0273
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.008 0.008
Onchocerca volvulus 0.004 0.0736 0.1241
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Brugia malayi steroid hormone receptor 0.0011 0.008 0.008
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Loa Loa (eye worm) acetylcholinesterase 1 0.0148 0.3218 0.3218
Brugia malayi Carboxylesterase family protein 0.0148 0.3218 0.3218
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.008 0.0134
Echinococcus granulosus acetylcholinesterase 0.0148 0.3218 0.5423
Onchocerca volvulus 0.0025 0.0397 0.0669
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0248 0.0439
Loa Loa (eye worm) intermediate filament protein 0.003 0.0507 0.0507
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.008 0.0134
Loa Loa (eye worm) hypothetical protein 0.0014 0.0153 0.0153
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.008 0.0134
Trichomonas vaginalis esterase, putative 0.004 0.0736 1
Onchocerca volvulus 0.0025 0.0397 0.0669
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0273 0.0482
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0.0397 0.0702
Mycobacterium ulcerans beta-lactamase 0.004 0.0736 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.003 0.005
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0025 0.0397 0.0669
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.008 0.0134
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Onchocerca volvulus 0.0025 0.0397 0.0669
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0736 0.1241
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0153 0.0259
Brugia malayi hypothetical protein 0.0025 0.0397 0.0397
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0736 0.1302
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0425 0.0425
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0736 0.1241
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.008 0.008
Schistosoma mansoni lamin 0.003 0.0507 0.0855
Schistosoma mansoni Smad4 0.0009 0.003 0.005
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0736 0.0736
Schistosoma mansoni acetylcholinesterase 0.0025 0.0397 0.0669
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.005
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0445 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0273 0.5
Mycobacterium ulcerans hypothetical protein 0.004 0.0736 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0425 0.5766
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Echinococcus multilocularis para nitrobenzyl esterase 0.0025 0.0397 0.0669
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.008 0.0134
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.008 0.0134
Echinococcus multilocularis lamin 0.003 0.0507 0.0855
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.003
Leishmania major hypothetical protein, conserved 0.004 0.0736 0.0736
Brugia malayi Carboxylesterase family protein 0.0025 0.0397 0.0397
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0736 0.1302
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0736 1
Loa Loa (eye worm) carboxylesterase 0.0148 0.3218 0.3218
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.019 0.019
Brugia malayi Carboxylesterase family protein 0.0148 0.3218 0.3218
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0425 0.0425
Mycobacterium tuberculosis Conserved protein 0.004 0.0736 0.1302
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.008 0.0134
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.019 0.019
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.008 0.008
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.008 0.008
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0273 0.3703
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.008 0.0134
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0736 1
Loa Loa (eye worm) Smad1 0.0009 0.003 0.003
Mycobacterium ulcerans hypothetical protein 0.0026 0.0425 0.5766
Loa Loa (eye worm) hypothetical protein 0.0014 0.0141 0.0141
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0507 0.0507
Mycobacterium ulcerans lipase LipD 0.004 0.0736 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0425 0.5766
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.008 0.0134
Loa Loa (eye worm) hypothetical protein 0.004 0.0736 0.0736
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.008 0.0134
Loa Loa (eye worm) carboxylesterase 0.0025 0.0397 0.0397
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0736 0.0736
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0397 0.0669
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0736 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.008 0.0134
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.008 0.0134
Onchocerca volvulus 0.0025 0.0397 0.0669
Echinococcus multilocularis acetylcholinesterase 0.0148 0.3218 0.5423
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0736 0.1241
Loa Loa (eye worm) hypothetical protein 0.002 0.0273 0.0273
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0425 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.008 0.008
Mycobacterium tuberculosis Conserved protein 0.004 0.0736 0.1302
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0425 0.0425
Echinococcus granulosus intermediate filament protein 0.003 0.0507 0.0855
Plasmodium vivax hypothetical protein, conserved 0.004 0.0736 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0425 0.5766
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0011 0.008 0.008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0425 1
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0736 0.1302
Loa Loa (eye worm) hypothetical protein 0.002 0.0273 0.0273
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0425 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0397 0.0397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0983 0.1657
Echinococcus granulosus lamin dm0 0.003 0.0507 0.0855
Brugia malayi Carboxylesterase family protein 0.0025 0.0397 0.0397
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0736 0.0736

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.8 nM Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine ChEMBL. 9397171
Ki (binding) = 1.8 nM Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine ChEMBL. 9397171
Ki (binding) = 3.3 nM Sigma 2 binding assay was done rat liver membrane,by labelling the binding site with [3H]-DTG (DuPont-NEN) in the presence of [3H]-(+)-pentazocine (100 nM) ChEMBL. 9397171
Ki (binding) = 25.3 nM In vitro binding affinity for D2/D3 receptors in rat striatal homogenates by [125I]-NCQ298 displacement. ChEMBL. 9397171
Ki (binding) = 85 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171
Ki (binding) = 85 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171
Log Ki (binding) = 1.93 Displacement of [3H]vesamicol from VAChT receptor in torpedo electrical organ synaptic vesicle ChEMBL. 18324757

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

2 literature references were collected for this gene.

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