Detailed information for compound 38650

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.525 | Formula: C23H31N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C2C1C1CCC2C2C1C2
  • InChi: 1S/C23H31N5O2/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23/h3,6-7,15-20H,1-2,4-5,8-14H2
  • InChiKey: ORIMOIJEOWEROT-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0153 0.051 1
Onchocerca volvulus 0.0056 0.0126 0.094
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 0.0976
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0053 0.0056
Brugia malayi Deoxynucleoside kinase family protein 0.0142 0.0467 0.524
Onchocerca volvulus Putative thymidylate kinase 0.0153 0.051 0.5106
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0114 0.1314
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0038 0.0156
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.01 0.106
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0045 0.0085 0.0571
Giardia lamblia Ribonuclease H 0.0046 0.0087 0.0015
Trypanosoma cruzi thymidine kinase, putative 0.1554 0.6028 1
Onchocerca volvulus 0.0178 0.0607 0.6158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0191 0.023
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0041 0.0069 0.0026
Giardia lamblia Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative 0.0142 0.0467 0.0398
Onchocerca volvulus 0.0037 0.0053 0.0148
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1674 0.6502 0.6863
Trypanosoma brucei unspecified product 0.0042 0.0071 0.0085
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0143 0.1129
Leishmania major DNA polymerase eta, putative 0.0042 0.0071 0.003
Entamoeba histolytica exodeoxyribonuclease III, putative 0.006 0.0142 0.0149
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0071 0.0555
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.0319 0.0444
Leishmania major hypothetical protein, conserved 0.006 0.0144 0.0151
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0071 0.0727
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0126 0.1367
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0038 0.0156
Loa Loa (eye worm) deoxynucleoside kinase 0.0142 0.0467 0.5326
Echinococcus multilocularis inositol monophosphatase 1 0.0119 0.0375 0.0396
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0041 0.0069 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0467 0.0692
Echinococcus granulosus lamin dm0 0.0056 0.0126 0.0133
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.032 0.3501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.01 0.0106
Trichomonas vaginalis inositol monophosphatase, putative 0.0119 0.0375 0.0538
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0053 0.0056
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0071 0.003
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0071 0.0323
Schistosoma mansoni glycogen phosphorylase 0.0105 0.0319 0.0336
Trichomonas vaginalis thymidylate kinase, putative 0.0153 0.051 0.0764
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0143 0.161
Trypanosoma cruzi thymidylate kinase, putative 0.0153 0.051 0.0764
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.004 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.004 0.0042
Echinococcus multilocularis musashi 0.0056 0.0126 0.0133
Schistosoma mansoni thymidylate kinase 0.0153 0.051 0.0538
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.2429 0.9475 1
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.006 0.0144 0.0151
Treponema pallidum exodeoxyribonuclease (exoA) 0.006 0.0142 0.1321
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.006 0.0142 0.1321
Echinococcus granulosus glycogen phosphorylase 0.0105 0.0319 0.0336
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 1
Trichomonas vaginalis thymidylate kinase, putative 0.0153 0.051 0.0764
Echinococcus granulosus GPCR family 2 0.0033 0.0038 0.004
Trypanosoma brucei thymidine kinase 0.1554 0.6028 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.004 0.0042
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0114 0.0102
Onchocerca volvulus 0.0037 0.0053 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0467 0.0692
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0071 0.0075
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0053 0.0056
Schistosoma mansoni hypothetical protein 0.0033 0.0038 0.004
Onchocerca volvulus 0.0267 0.0961 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0053 0.0055
Brugia malayi hypothetical protein 0.0053 0.0114 0.1064
Brugia malayi RNase H family protein 0.0046 0.0087 0.0734
Entamoeba histolytica glycogenphosphorylase, putative 0.0045 0.0085 0.0053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0114 0.1314
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0041 0.0069 0.0529
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0071 0.0227
Brugia malayi intermediate filament protein 0.0056 0.0126 0.1206
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.0459 0.0484
Trypanosoma brucei RNA helicase, putative 0.0319 0.1162 0.1901
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0071 0.0075
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0119 0.0375 0.0538
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0142 0.0571
Trichomonas vaginalis thymidine kinase, putative 0.1554 0.6028 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.0319 0.0444
Leishmania major thymidylate kinase-like protein 0.0153 0.051 0.0764
Echinococcus multilocularis lysosomal protective protein 0.0041 0.0069 0.0073
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0178 0.0607 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0071 0.0085
Echinococcus granulosus dna polymerase eta 0.0042 0.0071 0.0075
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0153 0.051 0.5786
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0053 0.0056
Leishmania major DNA polymerase kappa, putative 0.0042 0.0071 0.003
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0142 0.0467 0.0493
Trypanosoma brucei ingi protein (ORF1) 0.0053 0.0115 0.0157
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0053 0.0241
Brugia malayi hypothetical protein 0.0037 0.0053 0.0341
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0071 0.0085
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0053 0.0518
Trypanosoma brucei ingi protein (ORF1) 0.0053 0.0115 0.0157
Echinococcus multilocularis GPCR, family 2 0.0033 0.0038 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.0375 0.0538
Brugia malayi hypothetical protein 0.0085 0.024 0.2552
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0142 0.181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.032 0.362
Schistosoma mansoni hypothetical protein 0.005 0.0103 0.0109
Giardia lamblia Glycogen phosphorylase 0.0105 0.0319 0.0249
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0038 0.004
Brugia malayi thymidylate kinase 0.0153 0.051 0.5751
Schistosoma mansoni lipoxygenase 0.0057 0.0132 0.0139
Schistosoma mansoni hypothetical protein 0.0072 0.0189 0.02
Echinococcus multilocularis thymidylate synthase 0.0178 0.0607 0.064
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.006 0.0142 0.015
Loa Loa (eye worm) hypothetical protein 0.0055 0.0122 0.132
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0071 0.0085
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0071 0.0075
Schistosoma mansoni phosphoglucomutase 0.0046 0.0087 0.0091
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0119 0.0375 0.0538
Schistosoma mansoni hypothetical protein 0.0169 0.0574 0.0606
Trypanosoma brucei unspecified product 0.0053 0.0115 0.0157
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0119 0.0375 0.0539
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0038 0.004
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0041 0.0069 0.0026
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0071 0.0555
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.0375 0.0538
Mycobacterium ulcerans thymidylate synthase 0.0178 0.0607 1
Trypanosoma brucei hypothetical protein, conserved 0.0053 0.0115 0.0157
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0053 0.0056
Brugia malayi beta-lactamase family protein 0.0037 0.0053 0.0343
Trichomonas vaginalis set domain proteins, putative 0.0267 0.0961 0.1518
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.006 0.0142 0.0149
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Leishmania major hypothetical protein, conserved 0.0053 0.0114 0.0102
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.0459 0.0484
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0041 0.0069 0.0081
Echinococcus granulosus dna polymerase kappa 0.0042 0.0071 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0053 0.0056
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0126 0.1206
Schistosoma mansoni hypothetical protein 0.0153 0.051 0.0538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.01 0.0106
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Echinococcus multilocularis ribonuclease H1 0.0046 0.0087 0.0091
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0053 0.0343
Schistosoma mansoni phosphoglucomutase 0.0046 0.0087 0.0091
Brugia malayi RNase H family protein 0.0046 0.0087 0.0734
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0189 0.1953
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.006 0.0142 0.0149
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0037 0.0053 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0143 0.015
Brugia malayi Pre-SET motif family protein 0.0235 0.0833 0.9574
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.006 0.0142 0.1128
Echinococcus granulosus thymidine kinase 0.2429 0.9475 1
Echinococcus granulosus geminin 0.0344 0.1264 0.1334
Toxoplasma gondii exonuclease III APE 0.006 0.0142 0.181
Entamoeba histolytica thymidine kinase, putative 0.1554 0.6028 1
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0191 0.023
Echinococcus granulosus thymidylate synthase 0.0178 0.0607 0.064
Schistosoma mansoni hypothetical protein 0.0033 0.0038 0.004
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0126 0.1367
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0071 0.0227
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0053 0.0056
Giardia lamblia CDC8 0.0153 0.051 0.0442
Echinococcus granulosus ribonuclease H1 0.0046 0.0087 0.0091
Schistosoma mansoni glycogen phosphorylase 0.0105 0.0319 0.0336
Loa Loa (eye worm) glycogen phosphorylase 0.0105 0.0319 0.3604
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0178 0.0607 0.7014
Trypanosoma cruzi thymidine kinase, putative 0.1554 0.6028 1
Schistosoma mansoni DNA polymerase eta 0.0042 0.0071 0.0075
Leishmania major cathepsin L-like protease 0.0072 0.0191 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Schistosoma mansoni hypothetical protein 0.014 0.0459 0.0484
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Loa Loa (eye worm) thymidylate kinase 0.0153 0.051 0.5828
Trypanosoma cruzi thymidylate kinase, putative 0.0153 0.051 0.0764
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.0071 0.0085
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0103 0.0932
Trypanosoma cruzi ribonuclease H1, putative 0.0046 0.0087 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0467 0.0692
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0178 0.0607 1
Brugia malayi Pre-SET motif family protein 0.0034 0.004 0.0181
Treponema pallidum thymidylate kinase (tmk) 0.0153 0.051 1
Giardia lamblia Hypothetical protein 0.0142 0.0467 0.0398
Brugia malayi RNase H family protein 0.0046 0.0087 0.0734
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0053 0.0115 0.0157
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0142 0.0467 0.0692
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0038 0.004
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0071 0.003
Schistosoma mansoni intermediate filament proteins 0.0056 0.0126 0.0133
Echinococcus multilocularis thymidine kinase 0.2429 0.9475 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0025 0.0182
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0106 0.0326 0.4926
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.0842 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0041 0.0069 0.0319
Echinococcus multilocularis thyroid hormone receptor alpha 0.016 0.0537 0.0567
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0041 0.0069 0.0073
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0071 0.003
Trichomonas vaginalis ribonuclease H1, putative 0.0046 0.0087 0.0055
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.006 0.0142 0.1554
Plasmodium falciparum thymidylate kinase 0.0153 0.051 0.8034
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.0319 0.0336
Loa Loa (eye worm) hypothetical protein 0.0033 0.0038 0.0336
Onchocerca volvulus Ribonuclease H1 homolog 0.0046 0.0087 0.0507
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Schistosoma mansoni hypothetical protein 0.0033 0.0038 0.004
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.0166 0.0189
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0041 0.0069 0.0081
Schistosoma mansoni thymidylate kinase 0.0153 0.051 0.0538
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.004 0.0042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.01 0.0106
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 0.064
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.0319 0.0336
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 0.0926
Echinococcus multilocularis lamin dm0 0.0056 0.0126 0.0133
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0702
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0142 0.0467 0.0692
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0143 0.0149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.01 0.0106
Chlamydia trachomatis thymidylate kinase 0.0153 0.051 1
Schistosoma mansoni phosphoglucomutase 0.0046 0.0087 0.0091
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0038 0.004
Echinococcus multilocularis geminin 0.0344 0.1264 0.1334
Echinococcus multilocularis transfer RNA-Ile 0.2429 0.9475 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0132 0.0139
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0041 0.0069 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0071 0.003
Schistosoma mansoni thyroid hormone receptor 0.016 0.0537 0.0567
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.024 0.0312
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.004 0.0042
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0114 0.0102
Loa Loa (eye worm) hypothetical protein 0.0034 0.004 0.036
Mycobacterium tuberculosis Hypothetical protein 0.0085 0.024 0.2364
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.032 0.3501
Trichomonas vaginalis thymidine kinase, putative 0.1554 0.6028 1
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.0142 0.0467 0.0493
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0142 0.0149
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0013 0.0014
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0132 0.0139
Leishmania major cathepsin L-like protease 0.0072 0.0191 0.023
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.0142 0.0467 0.0493
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0045 0.0085 0.04
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Schistosoma mansoni hypothetical protein 0.0037 0.0053 0.0056
Echinococcus granulosus survival motor neuron protein 1 0.0244 0.0869 0.0917
Schistosoma mansoni glycogen phosphorylase 0.0045 0.0085 0.009
Brugia malayi beta-lactamase 0.0037 0.0053 0.0343
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0518
Echinococcus granulosus thymidylate kinase 0.0153 0.051 0.0538
Loa Loa (eye worm) hypothetical protein 0.0056 0.0126 0.1367
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.013 0.0128
Trypanosoma cruzi ribonuclease H1, putative 0.0046 0.0087 0.0055
Loa Loa (eye worm) beta-lactamase 0.0037 0.0053 0.0518
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0119 0.0375 0.6814
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 1
Brugia malayi beta-lactamase family protein 0.0037 0.0053 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.01 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0467 0.0692
Loa Loa (eye worm) hypothetical protein 0.0072 0.0189 0.21
Echinococcus granulosus intermediate filament protein 0.0056 0.0126 0.0133
Schistosoma mansoni hypothetical protein 0.0033 0.0038 0.004
Toxoplasma gondii thymidylate kinase 0.0153 0.051 0.8292
Echinococcus multilocularis thymidylate kinase 0.0153 0.051 0.0538
Leishmania major thymidine kinase, putative 0.1554 0.6028 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0143 0.161
Schistosoma mansoni lamin 0.0056 0.0126 0.0133
Toxoplasma gondii ribonuclease HI protein 0.0046 0.0087 0.0824
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0071 0.003
Echinococcus multilocularis survival motor neuron protein 1 0.0244 0.0869 0.0917
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0038 0.0336
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0143 0.015
Leishmania major ribonuclease H1, putative 0.0046 0.0087 0.0055
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.006 0.0142 0.015
Schistosoma mansoni inositol monophosphatase 0.0119 0.0375 0.0396
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0178 0.0607 0.0926
Schistosoma mansoni ap endonuclease 0.006 0.0142 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.01 0.0106
Echinococcus granulosus inositol monophosphatase 1 0.0119 0.0375 0.0396
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Brugia malayi carbohydrate phosphorylase 0.0105 0.0319 0.3485
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0035 0.0037
Trypanosoma brucei thymidylate kinase, putative 0.0153 0.051 0.0815
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0071 0.0075
Entamoeba histolytica Thymidylate kinase, putative 0.0153 0.051 0.0764
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.004 0.0042
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.0833 0.9582
Echinococcus granulosus glycogen phosphorylase 0.0105 0.0319 0.0336
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0119 0.0375 0.5812
Loa Loa (eye worm) inositol-1 0.0119 0.0375 0.4259
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.006 0.0142 0.0149
Schistosoma mansoni hypothetical protein 0.0344 0.1264 0.1334
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0013 0.0014
Echinococcus multilocularis dna polymerase eta 0.0042 0.0071 0.0075
Loa Loa (eye worm) hypothetical protein 0.0053 0.0114 0.1227
Schistosoma mansoni lamin 0.0056 0.0126 0.0133
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0071 0.0323
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0037 0.0053 0.0056
Loa Loa (eye worm) hypothetical protein 0.0042 0.0071 0.0727
Onchocerca volvulus Glycogen phosphorylase homolog 0.0105 0.0319 0.3029
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.0375 0.0538
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0143 0.015
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0071 0.003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.01 0.0894
Loa Loa (eye worm) hypothetical protein 0.0105 0.032 0.362
Brugia malayi hypothetical protein 0.0034 0.0041 0.0193
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0041 0.0069 0.0026
Onchocerca volvulus 0.005 0.0103 0.0688
Schistosoma mansoni thymidine kinase 0.2429 0.9475 1
Brugia malayi exodeoxyribonuclease III family protein 0.006 0.0142 0.1397
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.01 0.0106
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0119 0.0375 0.059
Schistosoma mansoni survival motor neuron protein 0.005 0.0103 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Schistosoma mansoni hypothetical protein 0.0344 0.1264 0.1334
Onchocerca volvulus 0.0056 0.0126 0.094
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.0191 0.023
Schistosoma mansoni hypothetical protein 0.0319 0.1162 0.1227
Brugia malayi hypothetical protein 0.0244 0.0869 1
Giardia lamblia Thymidine kinase 0.1554 0.6028 0.5999
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.0191 0.023
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0143 0.1812
Mycobacterium ulcerans thymidylate kinase 0.0153 0.051 0.825
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.006 0.0142 0.0203
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0047
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0071 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Trichomonas vaginalis thymidine kinase, putative 0.1554 0.6028 1
Schistosoma mansoni thyroid hormone receptor 0.016 0.0537 0.0567
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.006 0.0144 0.0151
Trypanosoma brucei thymidylate kinase, putative 0.0153 0.051 0.0815
Echinococcus multilocularis lamin 0.0056 0.0126 0.0133
Echinococcus multilocularis thymidine kinase 0.2429 0.9475 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0105 0.0319 0.0336
Schistosoma mansoni ap endonuclease 0.006 0.0142 0.015
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0041 0.0069 0.0081
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0119 0.0375 0.5913
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0142 0.0467 0.0692
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0071 0.003
Leishmania major cathepsin L-like protease 0.0072 0.0191 0.023
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0085 0.024 0.0312
Trypanosoma brucei ribonuclease H1 0.0046 0.0087 0.011
Schistosoma mansoni inositol monophosphatase 0.0119 0.0375 0.0396
Echinococcus granulosus lamin 0.0056 0.0126 0.0133
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0114 0.0156
Loa Loa (eye worm) thymidylate synthase 0.0178 0.0607 0.6955
Brugia malayi thymidylate synthase 0.0178 0.0607 0.6898
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0106 0.0326 0.3455
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0085 0.0053
Onchocerca volvulus 0.0037 0.0053 0.0148
Echinococcus granulosus lysosomal protective protein 0.0041 0.0069 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0467 0.0692
Entamoeba histolytica hypothetical protein 0.0142 0.0467 0.0692
Plasmodium vivax thymidylate kinase, putative 0.0153 0.051 0.8292
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0085 0.0053
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0142 0.0467 0.0692
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.0319 0.0444
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0071 0.0085
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.0319 0.0444
Brugia malayi Inositol-1 0.0119 0.0375 0.4153
Toxoplasma gondii ABC1 family protein 0.0037 0.0053 0.0241
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0071 0.003
Loa Loa (eye worm) hypothetical protein 0.0244 0.0869 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.006 0.0142 0.1608
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0143 0.015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.006 0.0142 0.0072
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0071 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284
Giardia lamblia Hypothetical protein 0.0142 0.0467 0.0398
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0041 0.0069 0.0026
Echinococcus granulosus Glycosyl transferase family 35 0.0105 0.0319 0.0336
Echinococcus granulosus thymidine kinase 0.2429 0.9475 1
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0142 0.0149
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0143 0.161
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0153 0.051 0.825
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.004 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.0191 0.0284

Activities

Activity type Activity value Assay description Source Reference
AB50 (functional) = 34 mg kg-1 Concentration required to produce 50% block in avoidance responding in conditioned avoidance response test in rat ChEMBL. 2898533
Ki (binding) = 14 nM In vitro inhibition of [3H]-spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue. ChEMBL. 2898533
Ki (binding) = 140 nM In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat brain limbic tissue ChEMBL. 2898533
logP (ADMET) = 1.83 Partition coefficient (logP) ChEMBL. 2898533

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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