Detailed information for compound 50100

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 732.733 | Formula: C37H40N4O12
  • H donors: 2 H acceptors: 8 LogP: 4.64 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCO/C(=C/1\C(=NC(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCCO/C(=C/1\C(=NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C)C)/O)C)C)/O
  • InChi: 1S/C37H40N4O12/c1-8-50-34(42)28-20(4)38-21(5)29(32(28)24-12-14-26(15-13-24)40(46)47)35(43)51-16-17-52-36(44)30-22(6)39-23(7)31(37(45)53-19(2)3)33(30)25-10-9-11-27(18-25)41(48)49/h9-15,18-19,32-33,42,44H,8,16-17H2,1-7H3/b34-28+,36-30+
  • InChiKey: JLRNPSMEKJAHJA-FQDLYGRJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcium channel, voltage-dependent, L type, alpha 1F subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
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
Trypanosoma brucei calmodulin 0.0028 0.024 0.024
Plasmodium falciparum calmodulin 0.0028 0.024 0.7924
Echinococcus multilocularis acetylcholinesterase 0.0558 0.7559 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0169 0.2187 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0093 0.1137 0.1504
Trichomonas vaginalis spcc417.12 protein, putative 0.0094 0.1157 0.2267
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2985 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0346 0.0722
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Echinococcus multilocularis GPCR, family 2 0.0016 0.0071 0.0067
Schistosoma mansoni hypothetical protein 0.0016 0.0071 0.0093
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0297 0.3834
Loa Loa (eye worm) hypothetical protein 0.0034 0.032 0.0298
Schistosoma mansoni cpg binding protein 0.0028 0.0239 0.0316
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0356 0.0054
Trypanosoma brucei calmodulin 0.0028 0.024 0.024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0478 0.0478
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Brugia malayi CXXC zinc finger family protein 0.0028 0.0239 0.0239
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0094 0.1157 0.2267
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0558 0.7559 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0143 0.0003
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0469 0.0596
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0434 0.0549
Trichomonas vaginalis ran, putative 0.0021 0.0143 0.0006
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0346 0.1004
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0172 0.0071
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.0854 0.1106
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0297 0.3834
Trypanosoma brucei calmodulin 0.0028 0.024 0.024
Echinococcus multilocularis para nitrobenzyl esterase 0.0094 0.1157 0.1509
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0071 0.0067
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0774 0.1024
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0346 0.0346
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.1137 0.1481
Loa Loa (eye worm) hypothetical protein 0.0049 0.0534 0.0513
Leishmania major GTP-binding protein, putative 0.0021 0.0143 0.0003
Brugia malayi beta-lactamase 0.0036 0.0346 0.0346
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0093 0.1137 0.1137
Brugia malayi jmjC domain containing protein 0.0105 0.1299 0.1299
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0094 0.1157 0.1531
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0411 0.0544
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0774 0.1
Brugia malayi Carboxylesterase family protein 0.0094 0.1157 0.1157
Leishmania major calmodulin, putative 0.0028 0.024 0.0101
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0346 0.0722
Loa Loa (eye worm) hypothetical protein 0.0735 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0094 0.1157 0.1509
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Echinococcus multilocularis neuroligin 0.0094 0.1157 0.1509
Schistosoma mansoni hypothetical protein 0.0016 0.0071 0.0093
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0071 0.0067
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0316 0.0392
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0071 0.0067
Echinococcus granulosus carboxylesterase 5A 0.0558 0.7559 1
Echinococcus granulosus calmodulin 0.0028 0.024 0.0292
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0112 0.0148
Onchocerca volvulus 0.0094 0.1157 0.2866
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0169 0.2187 0.7193
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Onchocerca volvulus 0.0036 0.0346 0.0334
Loa Loa (eye worm) beta-lactamase 0.0036 0.0346 0.0325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0478 0.0633
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0434 0.0549
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0297 0.0367
Trypanosoma cruzi calmodulin, putative 0.0028 0.024 0.0101
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.014 0.4277
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0346 0.0722
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0722
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0239 0.0217
Toxoplasma gondii exonuclease III APE 0.0021 0.014 0.1812
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0103
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0316 0.4078
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Echinococcus granulosus snurportin 1 0.0302 0.4016 0.5301
Loa Loa (eye worm) carboxylesterase 0.0094 0.1157 0.1138
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0143 0.0163
Echinococcus granulosus importin subunit beta 1 0.0028 0.0246 0.0299
Giardia lamblia Calmodulin 0.0028 0.024 0.0222
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.5307 0.7013
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.0854 0.0724
Leishmania major calmodulin, putative 0.0028 0.024 0.0101
Echinococcus granulosus voltage dependent calcium channel 0.0093 0.1137 0.1481
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.0458
Echinococcus multilocularis acetylcholinesterase 0.0558 0.7559 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0056 0.0635 0.0502
Schistosoma mansoni calmodulin 0.0028 0.024 0.0317
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0143 0.3704
Loa Loa (eye worm) hypothetical protein 0.0017 0.0092 0.007
Schistosoma mansoni ap endonuclease 0.0021 0.014 0.0186
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0246 0.0246
Schistosoma mansoni neuroligin 3 (S09 family) 0.0094 0.1157 0.1531
Brugia malayi hypothetical protein 0.0094 0.1157 0.1157
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0093 0.1137 0.1481
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0316 0.0417
Trypanosoma brucei calmodulin 0.0028 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0055 0.0611 0.0591
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0316 0.0392
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0684 0.0905
Onchocerca volvulus 0.0036 0.0346 0.0334
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Entamoeba histolytica hypothetical protein 0.0023 0.0172 0.0071
Loa Loa (eye worm) hypothetical protein 0.0016 0.0071 0.0049
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0316 0.0392
Trichomonas vaginalis esterase, putative 0.0036 0.0346 0.0458
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0854 0.0854
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0478 0.0633
Echinococcus multilocularis calmodulin 0.0028 0.024 0.0292
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0172 0.0071
Toxoplasma gondii ABC1 family protein 0.0036 0.0346 0.4469
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0172 0.0071
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0414 0.0523
Schistosoma mansoni hypothetical protein 0.0302 0.4016 0.5313
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0346 0.0722
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0774 0.3096
Brugia malayi calmodulin 0.0028 0.024 0.024
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.032 0.032
Schistosoma mansoni hypothetical protein 0.0016 0.0071 0.0093
Loa Loa (eye worm) voltage-dependent calcium channel 0.0019 0.0124 0.0103
Echinococcus multilocularis snurportin 1 0.0302 0.4016 0.5301
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1447 0.1428
Schistosoma mansoni hypothetical protein 0.0034 0.032 0.0423
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0854 0.0724
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0143 0.0006
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.0854 0.0834
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0478 0.0457
Toxoplasma gondii transporter, cation channel family protein 0.0019 0.0124 0.1604
Echinococcus granulosus CalModulin family member cmd 1 0.0028 0.024 0.0292
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0297 0.0392
Echinococcus granulosus BC026374 protein S09 family 0.0094 0.1157 0.1509
Toxoplasma gondii hypothetical protein 0.0017 0.0092 0.1186
Brugia malayi beta-lactamase family protein 0.0036 0.0346 0.0346
Loa Loa (eye worm) carboxylesterase 0.0094 0.1157 0.1138
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0346 0.4627 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0346 0.0432
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0316 0.0417
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.1137 0.1481
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.014 0.0159
Loa Loa (eye worm) hypothetical protein 0.0017 0.0092 0.007
Echinococcus granulosus GPCR family 2 0.0016 0.0071 0.0067
Mycobacterium ulcerans lipase LipD 0.0036 0.0346 0.1004
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.0458
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0291 0.0359
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0143 0.0143
Brugia malayi jmjC domain containing protein 0.004 0.0411 0.0411
Echinococcus multilocularis calmodulin 0.0028 0.024 0.0292
Echinococcus multilocularis cpg binding protein 0.0029 0.026 0.0319
Onchocerca volvulus 0.0094 0.1157 0.2866
Schistosoma mansoni cpg binding protein 0.0029 0.026 0.0345
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0774 0.2227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0478 0.0633
Echinococcus granulosus tm gpcr rhodopsin 0.0541 0.7313 0.9675
Brugia malayi Carboxylesterase family protein 0.0558 0.7559 0.7559
Brugia malayi Carboxylesterase family protein 0.0558 0.7559 0.7559
Brugia malayi Inositol-1 0.004 0.0414 0.0414
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.301 0.2995
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0722
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0346 0.1004
Echinococcus granulosus calmodulin 0.0028 0.0239 0.0291
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0133 0.0133
Leishmania major hypothetical protein, conserved 0.0036 0.0346 0.0208
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.1137 0.1481
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0071 0.0067
Brugia malayi Carboxylesterase family protein 0.0094 0.1157 0.1157
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0414 0.1339
Plasmodium vivax SET domain protein, putative 0.0033 0.0316 0.9063
Loa Loa (eye worm) hypothetical protein 0.0028 0.024 0.0219
Schistosoma mansoni BC026374 protein (S09 family) 0.0094 0.1157 0.1531
Onchocerca volvulus 0.026 0.3445 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0246 0.0246
Echinococcus granulosus acetylcholinesterase 0.0558 0.7559 1
Echinococcus multilocularis CalModulin family member (cmd 1) 0.0028 0.024 0.0292
Loa Loa (eye worm) inositol-1 0.004 0.0414 0.0393
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0346 1
Leishmania major C-8 sterol isomerase-like protein 0.0735 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0316 0.0417
Toxoplasma gondii calmodulin, putative 0.0028 0.024 0.3101
Brugia malayi Carboxylesterase family protein 0.0094 0.1157 0.1157
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.0392
Onchocerca volvulus 0.0094 0.1157 0.2866
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0093 0.1137 0.1481
Schistosoma mansoni cpg binding protein 0.0029 0.026 0.0345
Brugia malayi Pre-SET motif family protein 0.0229 0.301 0.301
Mycobacterium tuberculosis Carboxylesterase LipT 0.0094 0.1157 0.3576
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0297 0.0275
Schistosoma mansoni hypothetical protein 0.0016 0.0071 0.0093
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0143 0.0163
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0774 0.0643
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Trypanosoma cruzi calmodulin 0.0028 0.024 0.0101
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.014 0.0159
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1447 0.1428
Trypanosoma cruzi calmodulin 0.0028 0.024 0.0101
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0414 0.0278
Echinococcus granulosus peregrin 0.0032 0.0297 0.0367
Schistosoma mansoni ran 0.0021 0.0143 0.0189
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0094 0.1157 0.1531
Schistosoma mansoni inositol monophosphatase 0.004 0.0414 0.0548
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0411 0.039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0478 0.0608
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0469 0.0596
Entamoeba histolytica Ran family GTPase 0.0021 0.0143 0.0006
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0094 0.1157 0.1509
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0093 0.1137 0.1504
Mycobacterium ulcerans hypothetical protein 0.0036 0.0346 0.1004
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0275
Trichomonas vaginalis set domain proteins, putative 0.026 0.3445 0.7365
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0534 0.0534
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0297 0.8477
Brugia malayi PHD-finger family protein 0.0012 0.0022 0.0022
Plasmodium vivax calmodulin, putative 0.0028 0.024 0.6717
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.1137 0.1481
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0346 0.4627 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0346 0.0346
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0143 0.0003
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.0458
Brugia malayi MH2 domain containing protein 0.0115 0.1447 0.1447
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0478 0.0608
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0414 0.0611
Echinococcus multilocularis calmodulin 0.0028 0.024 0.0292
Echinococcus multilocularis calmodulin 0.0028 0.0239 0.0291
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Schistosoma mansoni hypothetical protein 0.0395 0.5307 0.7021
Loa Loa (eye worm) acetylcholinesterase 1 0.0558 0.7559 0.7553
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0346 0.0208
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0414 0.0278
Onchocerca volvulus 0.0094 0.1157 0.2866
Onchocerca volvulus Calmodulin homolog 0.0028 0.024 0.0004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0478 0.0608
Onchocerca volvulus 0.0033 0.0316 0.024
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.1137 0.1481
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0346 0.0722
Echinococcus granulosus acetylcholinesterase 0.0558 0.7559 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0598 0.7724
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0105 0.1299 0.1697
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0346 0.0432
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0071 0.0071
Plasmodium falciparum phd finger protein, putative 0.0032 0.0297 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0143 0.0143
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0169 0.2187 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0854 0.0724
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0346 0.0325
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0143 0.1845
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0414 0.0611
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Trypanosoma cruzi calmodulin, putative 0.0028 0.024 0.0101
Echinococcus granulosus voltage dependent calcium channel 0.0019 0.0124 0.0138
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0094 0.1157 0.1531
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0346 0.0457
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0356 0.0758
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0094 0.1157 0.3576
Loa Loa (eye worm) hypothetical protein 0.0558 0.7559 0.7553
Echinococcus granulosus para nitrobenzyl esterase 0.0094 0.1157 0.1509
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.014 0.3626
Brugia malayi Bromodomain containing protein 0.0032 0.0297 0.0297
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0414 0.0523
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.0854 0.159
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0414 0.5354
Entamoeba histolytica calmodulin, putative 0.0028 0.024 0.0222
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0722
Trypanosoma cruzi calmodulin, putative 0.0028 0.024 0.0101
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0039 0.0399 0.0503
Treponema pallidum fructose-bisphosphate aldolase 0.0346 0.4627 1
Onchocerca volvulus 0.0036 0.0346 0.0334
Onchocerca volvulus Alhambra homolog 0.0032 0.0297 0.0181
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0056 0.0635 0.0635
Echinococcus granulosus calmodulin 0.0028 0.024 0.0292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0071 0.0049
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Mycobacterium ulcerans carboxylesterase, LipT 0.0094 0.1157 0.4971
Schistosoma mansoni jumonji domain containing protein 0.0083 0.1003 0.1326
Giardia lamblia PHD finger protein 15 0.0032 0.0297 0.0349
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0028 0.0246 0.0224
Loa Loa (eye worm) hypothetical protein 0.0033 0.0316 0.0294
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0346 0.0457
Echinococcus multilocularis calmodulin 0.0028 0.024 0.0292
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.014 0.014
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.0854 0.0854
Schistosoma mansoni voltage-gated cation channel 0.0093 0.1137 0.1504
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0774 0.1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0246 0.6895
Echinococcus granulosus dnaJ subfamily B 0.0395 0.5307 0.7013
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0143 0.437
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0316 0.0417
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0735 1 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.0854 0.1129
Echinococcus multilocularis peregrin 0.0032 0.0297 0.0367
Mycobacterium ulcerans beta-lactamase 0.0036 0.0346 0.1004
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0541 0.7313 0.9675
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0297 0.0367
Leishmania major importin beta-1 subunit, putative 0.0023 0.0172 0.0032
Schistosoma mansoni importin beta-1 0.0028 0.0246 0.0325
Loa Loa (eye worm) calcium channel 0.0093 0.1137 0.1117
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0346 0.0458
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0766 0.0746
Echinococcus multilocularis calmodulin 0.0028 0.024 0.0292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0534 0.0513
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0246 0.0299
Brugia malayi PHD-finger family protein 0.0032 0.0297 0.0297
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0172 0.0032
Loa Loa (eye worm) hypothetical protein 0.0558 0.7559 0.7553
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Echinococcus granulosus calmodulin 0.0028 0.024 0.0292
Loa Loa (eye worm) carboxylesterase 0.0558 0.7559 0.7553
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0346 0.0722
Schistosoma mansoni acetylcholinesterase 0.0094 0.1157 0.1531
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0534 0.0534
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0105 0.1299 0.1697
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0346 0.0458
Loa Loa (eye worm) hypothetical protein 0.0376 0.5041 0.503
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0414 0.0611
Brugia malayi beta-lactamase family protein 0.0036 0.0346 0.0346
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0411 0.0519
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0094 0.1157 0.3576
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0346 0.0722
Giardia lamblia Fructose-bisphosphate aldolase 0.0346 0.4627 1
Echinococcus multilocularis carboxylesterase 5A 0.0558 0.7559 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0478 0.0608
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0414 1
Echinococcus granulosus cpg binding protein 0.0029 0.026 0.0319
Loa Loa (eye worm) hypothetical protein 0.0093 0.1137 0.1117
Brugia malayi Carboxylesterase family protein 0.0094 0.1157 0.1157
Brugia malayi RNA, U transporter 1 0.008 0.0964 0.0964
Schistosoma mansoni ap endonuclease 0.0021 0.014 0.0186
Brugia malayi Importin beta-1 subunit 0.0028 0.0246 0.0246
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0774 1
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0246 0.3175
Echinococcus granulosus neuroligin 0.0094 0.1157 0.1509
Schistosoma mansoni gliotactin 0.0094 0.1157 0.1531
Onchocerca volvulus 0.0028 0.0239 0.0002
Onchocerca volvulus 0.0094 0.1157 0.2866
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.014 0.0119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Trichomonas vaginalis calmodulin, putative 0.0028 0.024 0.0222
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0774 0.1024
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.0854 0.1106
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.4016 0.4003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0346 0.4627 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0774 0.3096
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0346 0.0208
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0093 0.1137 0.1481
Brugia malayi Pre-SET motif family protein 0.0033 0.0316 0.0316
Echinococcus multilocularis BC026374 protein (S09 family) 0.0094 0.1157 0.1509
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0143 0.0121
Plasmodium falciparum importin beta, putative 0.0028 0.0246 0.8135
Schistosoma mansoni ran 0.0021 0.0143 0.0189
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.1137 0.1481
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0411 0.0544
Loa Loa (eye worm) hypothetical protein 0.0094 0.1157 0.1138
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0071 0.0071
Schistosoma mansoni inositol monophosphatase 0.004 0.0414 0.0548
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.014 0.014
Trypanosoma brucei C-8 sterol isomerase, putative 0.0735 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0414 0.0611
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0774 0.3096
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0325
Echinococcus multilocularis sodium channel protein 0.0039 0.0399 0.0503
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0414 0.0278
Leishmania major calmodulin, putative 0.0028 0.024 0.0101
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0389 0.049

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.000000000017 M Inhibition of [3H]-Nitrendipine binding to L-type calcium channel of guinea pig ileal longitudinal smooth muscle ChEMBL. 2840498
IC50 (binding) = 0.000000000017 M Inhibition of [3H]-Nitrendipine binding to L-type calcium channel of guinea pig ileal longitudinal smooth muscle ChEMBL. 2840498

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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