Detailed information for compound 13933

Basic information

Technical information
  • TDR Targets ID: 13933
  • Name: 4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperid in-1-yl]propoxy]-3-methoxybenzonitrile
  • MW: 409.453 | Formula: C23H24FN3O3
  • H donors: 0 H acceptors: 2 LogP: 4.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C#N)ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F
  • InChi: 1S/C23H24FN3O3/c1-28-22-13-16(15-25)3-6-20(22)29-12-2-9-27-10-7-17(8-11-27)23-19-5-4-18(24)14-21(19)30-26-23/h3-6,13-14,17H,2,7-12H2,1H3
  • InChiKey: DTBWJCOEWPYXNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propoxy]-3-methoxy-benzonitrile
  • 4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzonitrile
  • 4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxy-benzenecarbonitrile
  • 4-[3-[4-(6-fluoroindoxazen-3-yl)piperidino]propoxy]-3-methoxy-benzonitrile
  • 4-[3-[4-(6-fluoroindoxazen-3-yl)-1-piperidyl]propoxy]-3-methoxy-benzonitrile
  • 4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxy-benzonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin 2 (5-HT2) receptor Starlite/ChEMBL References
Rattus norvegicus Dopamine D2 receptor 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
Echinococcus multilocularis g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.5 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 2 (5-HT2) receptor   460 aa 405 aa 31.1 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Echinococcus granulosus g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.8 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 2 (5-HT2) receptor   460 aa 408 aa 20.8 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0035 0.0136 0.0149
Schistosoma mansoni ap endonuclease 0.0037 0.0155 0.039
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0136 0.0149
Toxoplasma gondii ABC1 family protein 0.0035 0.0136 0.0751
Schistosoma mansoni hypothetical protein 0.0103 0.0713 0.1798
Trichomonas vaginalis thymidine kinase, putative 0.1064 0.8933 1
Schistosoma mansoni phosphoglucomutase 0.0069 0.0429 0.1082
Echinococcus multilocularis geminin 0.0165 0.1247 0.1893
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0616
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0155 0.1245
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0155 0.039
Echinococcus multilocularis thymidylate synthase 0.0117 0.0835 0.1268
Entamoeba histolytica thymidine kinase, putative 0.1064 0.8933 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0108 0.0164
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.6587 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0069 0.0429 0.5137
Onchocerca volvulus 0.0026 0.006 0.0723
Schistosoma mansoni intermediate filament proteins 0.0026 0.006 0.0152
Loa Loa (eye worm) hypothetical protein 0.0069 0.0424 0.2348
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0433 0.0338
Echinococcus granulosus thymidylate synthase 0.0117 0.0835 0.2106
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0027 0.007 0.0028
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.007 0.0433 1
Chlamydia trachomatis thymidylate kinase 0.007 0.0433 1
Brugia malayi RNase H family protein 0.0069 0.0429 0.2378
Treponema pallidum thymidylate kinase (tmk) 0.007 0.0433 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0108 0.0598
Loa Loa (eye worm) thymidylate synthase 0.0117 0.0835 0.4629
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0253
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0696 0.3856
Brugia malayi beta-lactamase family protein 0.0035 0.0136 0.0751
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0136 0.0751
Trypanosoma brucei unspecified product 0.0079 0.0507 0.0519
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0155 0.0235
Brugia malayi RNase H family protein 0.0069 0.0429 0.2378
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.007 0.0433 0.1962
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0069 0.0429 0.9868
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0108 0.0164
Schistosoma mansoni thyroid hormone receptor 0.0137 0.101 0.2546
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0923 0.1401
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0046 0.0368
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0616
Toxoplasma gondii exonuclease III APE 0.0037 0.0155 0.0911
Loa Loa (eye worm) thymidylate kinase 0.007 0.0433 0.2399
Schistosoma mansoni hypothetical protein 0.007 0.0433 0.1091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Schistosoma mansoni phosphoglucomutase 0.0069 0.0429 0.1082
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0143 0.011
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0295 0.0745
Brugia malayi hypothetical protein 0.0025 0.0046 0.0253
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0155 0.0123
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0155 0.1245
Schistosoma mansoni phosphoglucomutase 0.0069 0.0429 0.1082
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0108 0.0272
Leishmania major thymidylate kinase-like protein 0.007 0.0433 0.0436
Onchocerca volvulus 0.0035 0.0136 0.1623
Echinococcus granulosus dihydrofolate reductase 0.0048 0.0243 0.0614
Trichomonas vaginalis ribonuclease H1, putative 0.0069 0.0429 0.0334
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0135 0.0341
Trypanosoma brucei ribonuclease H1 0.0069 0.0429 0.0431
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0433 0.0436
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.006 0.0335
Mycobacterium leprae Probable lipase LipE 0.0035 0.0136 0.0338
Echinococcus granulosus thymidine kinase 0.0483 0.3966 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0143 0.0111
Schistosoma mansoni thymidine kinase 0.0483 0.3966 1
Treponema pallidum ribonuclease H (rnhA) 0.0069 0.0429 0.9862
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0136 0.0101
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0155 0.0123
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0155 0.0395
Toxoplasma gondii thymidylate kinase 0.007 0.0433 0.3234
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0117 0.0835 1
Echinococcus multilocularis lamin dm0 0.0026 0.006 0.0092
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0155 0.0022
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0136 0.0149
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0155 0.0274
Echinococcus granulosus ribonuclease H1 0.0069 0.0429 0.1082
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0117 0.0835 0.2106
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0143 0.011
Trypanosoma brucei thymidine kinase 0.1064 0.8933 1
Schistosoma mansoni hypothetical protein 0.0032 0.0108 0.0272
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0079 0.0507 0.0519
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0136 0.0149
Giardia lamblia Thymidine kinase 0.1064 0.8933 0.8916
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1804 0.455
Trypanosoma brucei ingi protein (ORF1) 0.0079 0.0507 0.0519
Mycobacterium tuberculosis Conserved protein 0.0035 0.0136 0.0149
Trichomonas vaginalis thymidine kinase, putative 0.1064 0.8933 1
Echinococcus multilocularis thymidylate kinase 0.007 0.0433 0.0657
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0433 0.0436
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0923 0.2327
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Schistosoma mansoni thymidylate kinase 0.007 0.0433 0.1091
Schistosoma mansoni hypothetical protein 0.0047 0.0237 0.0599
Echinococcus multilocularis thymidine kinase 0.0483 0.3966 0.6022
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0136 0.1091
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0143 0.011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0244 0.0371
Onchocerca volvulus Putative thymidylate kinase 0.007 0.0433 0.5183
Brugia malayi hypothetical protein 0.023 0.1804 1
Echinococcus granulosus lamin dm0 0.0026 0.006 0.0152
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0424 0.2348
Onchocerca volvulus 0.0117 0.0835 1
Loa Loa (eye worm) dihydrofolate reductase 0.0048 0.0243 0.1349
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0136 0.0342
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0136 0.0342
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0027 0.007 0.0028
Echinococcus granulosus GPCR family 2 0.0032 0.0108 0.0272
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0696 0.3856
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0155 0.0123
Echinococcus granulosus lamin 0.0026 0.006 0.0152
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0165 0.1243 0.1347
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1751 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0143 0.0009
Echinococcus granulosus thymidylate kinase 0.007 0.0433 0.1091
Brugia malayi hypothetical protein 0.0035 0.0135 0.075
Plasmodium falciparum thymidylate kinase 0.007 0.0433 0.3483
Plasmodium vivax thymidylate kinase, putative 0.007 0.0433 0.3483
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0237 0.1316
Echinococcus multilocularis musashi 0.0026 0.006 0.0092
Schistosoma mansoni ap endonuclease 0.0037 0.0155 0.039
Onchocerca volvulus 0.0047 0.0237 0.2842
Loa Loa (eye worm) beta-lactamase 0.0035 0.0136 0.0751
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0155 0.0858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0244 0.0616
Schistosoma mansoni inositol monophosphatase 0.0036 0.0143 0.0361
Mycobacterium tuberculosis Hypothetical protein 0.0056 0.0311 0.1221
Schistosoma mansoni lamin 0.0026 0.006 0.0152
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0136 0.0101
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0165 0.1243 1
Schistosoma mansoni dihydrofolate reductase 0.0048 0.0243 0.0614
Loa Loa (eye worm) intermediate filament protein 0.0026 0.006 0.0335
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0136 0.0206
Trypanosoma cruzi ribonuclease H1, putative 0.0069 0.0429 0.0431
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0136 0.0149
Schistosoma mansoni hypothetical protein 0.0165 0.1247 0.3143
Leishmania major ribonuclease H1, putative 0.0069 0.0429 0.0431
Entamoeba histolytica Thymidylate kinase, putative 0.007 0.0433 0.0338
Loa Loa (eye worm) hypothetical protein 0.0032 0.0108 0.0598
Trypanosoma brucei RNA helicase, putative 0.0404 0.3292 0.3653
Loa Loa (eye worm) hypothetical protein 0.0026 0.006 0.0335
Brugia malayi intermediate filament protein 0.0026 0.006 0.0335
Schistosoma mansoni thyroid hormone receptor 0.0137 0.101 0.2546
Brugia malayi beta-lactamase family protein 0.0035 0.0136 0.0751
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0244 0.0371
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0244 0.0616
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0046 0.0368
Trypanosoma cruzi thymidine kinase, putative 0.1064 0.8933 1
Echinococcus multilocularis lamin 0.0026 0.006 0.0092
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0155 0.0266
Echinococcus granulosus intermediate filament protein 0.0026 0.006 0.0152
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0295 0.0449
Leishmania major hypothetical protein, conserved 0.0035 0.0136 0.0101
Leishmania major hypothetical protein, conserved 0.0027 0.007 0.0028
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0117 0.0835 0.4417
Brugia malayi hypothetical protein 0.0056 0.0311 0.1725
Schistosoma mansoni survival motor neuron protein 0.0047 0.0237 0.0599
Echinococcus multilocularis dihydrofolate reductase 0.0048 0.0243 0.037
Schistosoma mansoni hypothetical protein 0.0032 0.0108 0.0272
Loa Loa (eye worm) hypothetical protein 0.0026 0.0056 0.0312
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Loa Loa (eye worm) hypothetical protein 0.023 0.1804 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0311 0.02
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0244 0.1353
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0108 0.0598
Schistosoma mansoni hypothetical protein 0.0127 0.0923 0.2327
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0135 0.0206
Brugia malayi dihydrofolate reductase family protein 0.0048 0.0243 0.1349
Loa Loa (eye worm) inositol-1 0.0036 0.0143 0.0794
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0165 0.1243 0.1347
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0165 0.1243 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0751
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0143 0.011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0155 0.0123
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0136 0.0149
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0143 0.0816
Schistosoma mansoni lipoxygenase 0.0054 0.0295 0.0745
Schistosoma mansoni hypothetical protein 0.0069 0.0424 0.1068
Giardia lamblia Ribonuclease H 0.0069 0.0429 0.0279
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0155 0.0022
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0135 0.0341
Trichomonas vaginalis thymidine kinase, putative 0.1064 0.8933 1
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0433 0.0436
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0108 0.0164
Trypanosoma cruzi ribonuclease H1, putative 0.0069 0.0429 0.0431
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0046 0.0368
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0696 0.3856
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0136 0.0751
Schistosoma mansoni hypothetical protein 0.0032 0.0108 0.0272
Loa Loa (eye worm) hypothetical protein 0.0101 0.0696 0.3856
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0155 0.0858
Echinococcus granulosus thymidine kinase 0.0483 0.3966 1
Onchocerca volvulus 0.0035 0.0136 0.1623
Mycobacterium ulcerans thymidylate kinase 0.007 0.0433 0.4249
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0136 0.0342
Brugia malayi Inositol-1 0.0036 0.0143 0.0794
Toxoplasma gondii ribonuclease HI protein 0.0069 0.0429 0.3202
Onchocerca volvulus 0.0026 0.006 0.0723
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0483 0.3966 1
Schistosoma mansoni hypothetical protein 0.0165 0.1247 0.3143
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0143 0.0218
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1804 0.274
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0108 0.0598
Brugia malayi beta-lactamase 0.0035 0.0136 0.0751
Echinococcus granulosus geminin 0.0165 0.1247 0.3143
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0143 0.0361
Schistosoma mansoni lamin 0.0026 0.006 0.0152
Schistosoma mansoni thymidylate kinase 0.007 0.0433 0.1091
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0143 0.0009
Mycobacterium tuberculosis Conserved protein 0.0035 0.0136 0.0149
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0244 0.1353
Leishmania major thymidine kinase, putative 0.1064 0.8933 1
Onchocerca volvulus 0.0035 0.0136 0.1623
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0433 0.0338
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.0507 0.0519
Brugia malayi RNase H family protein 0.0069 0.0429 0.2378
Echinococcus multilocularis ribonuclease H1 0.0069 0.0429 0.0651
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0136 0.0149
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0143 0.0009
Schistosoma mansoni inositol monophosphatase 0.0036 0.0143 0.0361
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0136 0.0101
Echinococcus multilocularis transfer RNA-Ile 0.0483 0.3966 0.6022
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0136 0.0149
Mycobacterium ulcerans thymidylate synthase 0.0117 0.0835 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0165 0.1243 1
Brugia malayi Dihydrofolate reductase 0.0048 0.0243 0.1349
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0048 0.0243 0.1541
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0155 0.0022
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0048 0.0243 0.0807
Trypanosoma brucei ingi protein (ORF1) 0.0079 0.0507 0.0519
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0048 0.0243 0.1827
Brugia malayi thymidylate kinase 0.007 0.0433 0.2399
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0433 0.0436
Giardia lamblia CDC8 0.007 0.0433 0.0282
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.007 0.0433 0.4443
Schistosoma mansoni hypothetical protein 0.0032 0.0108 0.0272
Echinococcus multilocularis thymidine kinase 0.0483 0.3966 0.6022
Brugia malayi thymidylate synthase 0.0117 0.0835 0.4629
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0165 0.1243 0.1347
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0616
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0143 0.0009
Schistosoma mansoni hypothetical protein 0.0035 0.0135 0.0341
Schistosoma mansoni hypothetical protein 0.0404 0.3292 0.8301
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.101 0.1533
Trypanosoma cruzi thymidine kinase, putative 0.1064 0.8933 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0136 0.0338
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.006 0.0335
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0108 0.0272
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0056 0.0311 0.0299

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1 mg kg-1 Ability to inhibit apomorphine-induced climbing behavior in mice. ChEMBL. 7707315
ED50 (functional) = 1 mg kg-1 Ability to inhibit apomorphine-induced climbing behavior in mice. ChEMBL. 7707315
ED50 (functional) = 15.7 mg kg-1 Ability to block apomorphine-induced stereotypy in rats. ChEMBL. 7707315
IC50 (binding) = 45 nM Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to displace [3H]-spiperone from rat frontal cortex. ChEMBL. 7707315
IC50 (binding) = 45 nM Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to displace [3H]-spiperone from rat frontal cortex. ChEMBL. 7707315
IC50 (binding) = 111 nM Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]-spiperone from rat striatum. ChEMBL. 7707315
IC50 (binding) = 111 nM Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]-spiperone from rat striatum. ChEMBL. 7707315
Ratio (binding) = 2.5 Ratio of IC50 value against dopamine receptor D2 to that of 5-hydroxytryptamine 3 receptor. ChEMBL. 7707315

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.