Detailed information for compound 1240076

Basic information

Technical information
  • TDR Targets ID: 1240076
  • Name: N-di(phenyl)phosphoryl-1-[1-(2-phenylprop-2-e nyl)cyclopropyl]methanamine
  • MW: 387.454 | Formula: C25H26NOP
  • H donors: 1 H acceptors: 1 LogP: 5.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C(c1ccccc1)CC1(CC1)CNP(=O)(c1ccccc1)c1ccccc1
  • InChi: 1S/C25H26NOP/c1-21(22-11-5-2-6-12-22)19-25(17-18-25)20-26-28(27,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16H,1,17-20H2,(H,26,27)
  • InChiKey: IDBYWZZJVBKLTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • di(phenyl)phosphoryl-[[1-(2-phenylprop-2-enyl)cyclopropyl]methyl]amine
  • CMLD1_000237
  • NCGC00074349-01
  • SDCCGMLS-0091648.P001
  • UPCMLD00WMAW-1-79

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.018 0.0595
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0297 0.0726
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Onchocerca volvulus 0.0038 0.0359 0.1005
Echinococcus multilocularis lamin dm0 0.0032 0.0297 0.0286
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0306 0.0294
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0017 0.0112 0.084
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0297 0.0869
Schistosoma mansoni ran 0.0023 0.0183 0.0172
Mycobacterium leprae Probable lipase LipE 0.0037 0.0348 0.8625
Loa Loa (eye worm) hypothetical protein 0.0015 0.0087 0.0192
Brugia malayi cytochrome P450 0.0017 0.0112 0.0306
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0442 0.0431
Leishmania major hypothetical protein, conserved 0.0035 0.0328 0.0749
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.0328 0.0317
Toxoplasma gondii subtilisin SUB12 0.0038 0.0359 0.0361
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0306 0.0294
Schistosoma mansoni hypothetical protein 0.0333 0.3943 0.3936
Mycobacterium tuberculosis Conserved protein 0.0037 0.0348 0.0899
Schistosoma mansoni ap endonuclease 0.0023 0.018 0.0169
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0183 0.0104
Onchocerca volvulus 0.0038 0.0359 0.1005
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Brugia malayi Trypsin family protein 0.0013 0.0062 0.0153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0468 0.0457
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0348 0.4802
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0348 0.0818
Brugia malayi Inositol-1 0.0044 0.0442 0.1311
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0212 0.07
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.0338
Trichomonas vaginalis ran, putative 0.0023 0.0183 0.0606
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.018 0.0236
Brugia malayi beta-lactamase family protein 0.0037 0.0348 0.1025
Onchocerca volvulus 0.0038 0.0359 0.1005
Brugia malayi Trypsin-like protease protein 5 0.0013 0.0062 0.0153
Brugia malayi follicle stimulating hormone receptor 0.028 0.3293 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0442 0.1462
Mycobacterium tuberculosis Conserved protein 0.0029 0.0261 0.0568
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0017 0.0112 0.084
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Echinococcus granulosus transmembrane protease serine 3 0.0013 0.0062 0.005
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.0112 0.01
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Schistosoma mansoni hypothetical protein 0.0017 0.0112 0.01
Echinococcus granulosus citrate lyase subunit beta protein 0.0029 0.0261 0.025
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0348 0.0899
Loa Loa (eye worm) hypothetical protein 0.0016 0.0094 0.021
Mycobacterium tuberculosis Conserved protein 0.0037 0.0348 0.0899
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.081 0.08
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0657 0.0647
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0013 0.0062 0.005
Loa Loa (eye worm) hypothetical protein 0.0015 0.0087 0.0192
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0017 0.0112 0.084
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0017 0.0112 0.084
Mycobacterium ulcerans hypothetical protein 0.0037 0.0348 0.4802
Onchocerca volvulus 0.0257 0.3022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0348 0.0337
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0468 0.0457
Toxoplasma gondii microneme protein MIC4 0.0038 0.0359 0.0361
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0385 1
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.0328 0.0317
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Loa Loa (eye worm) PAN domain-containing protein 0.0038 0.0359 0.0885
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0029 0.0261 0.0864
Loa Loa (eye worm) hypothetical protein 0.0031 0.0283 0.0691
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0017 0.0112 0.084
Trypanosoma cruzi hypothetical protein, conserved 0.0255 0.2997 1
Echinococcus granulosus snurportin 1 0.0333 0.3943 0.3936
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Schistosoma mansoni hypothetical protein 0.0013 0.0062 0.005
Echinococcus granulosus intermediate filament protein 0.0032 0.0297 0.0286
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0017 0.0112 0.084
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0017 0.0112 0.084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0033 0.0055
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0212 0.07
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0348 0.0899
Onchocerca volvulus 0.0038 0.0359 0.1005
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0348 0.0855
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0348 0.0899
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.018 0.0169
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3293 0.8346
Entamoeba histolytica hypothetical protein 0.0076 0.0827 1
Echinococcus multilocularis transmembrane protease serine 3 0.0013 0.0062 0.005
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0306 0.0294
Trypanosoma brucei hypothetical protein, conserved 0.0255 0.2997 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0283 0.0593
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 0.0328 0.8815
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0038 0.0359 0.0361
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0183 0.0223
Leishmania major importin beta-1 subunit, putative 0.0025 0.0212 0.0345
Loa Loa (eye worm) trypsin family protein 0.0013 0.0062 0.0128
Onchocerca volvulus 0.0035 0.0328 0.0899
Brugia malayi Cytochrome P450 family protein 0.0028 0.024 0.0696
Toxoplasma gondii hypothetical protein 0.0038 0.0359 0.0361
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0348 0.1151
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0306 0.0294
Echinococcus multilocularis citrate lyase subunit beta protein 0.0029 0.0261 0.025
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.018 0.0259
Toxoplasma gondii microneme protein MIC17C 0.0038 0.0359 0.0361
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0657 0.0647
Toxoplasma gondii microneme protein MIC17A 0.0038 0.0359 0.0361
Brugia malayi Trypsin family protein 0.0013 0.0062 0.0153
Trichomonas vaginalis set domain proteins, putative 0.0257 0.3022 1
Schistosoma mansoni lamin 0.0032 0.0297 0.0286
Entamoeba histolytica hypothetical protein 0.0076 0.0827 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0115 0.0263
Mycobacterium ulcerans hypothetical protein 0.0029 0.0261 0.3343
Trichomonas vaginalis esterase, putative 0.0037 0.0348 0.1151
Onchocerca volvulus 0.0037 0.0348 0.0966
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0657 0.1891
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0283 0.0593
Brugia malayi intermediate filament protein 0.0032 0.0297 0.0869
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0657 0.1968
Brugia malayi Importin beta-1 subunit 0.0031 0.0283 0.0828
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Onchocerca volvulus 0.0038 0.0359 0.1005
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.067 0.1675
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0048 0.011
Toxoplasma gondii PAN domain-containing protein 0.0038 0.0359 0.0361
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0024 0.0012
Loa Loa (eye worm) PAN domain-containing protein 0.0038 0.0359 0.0885
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0348 0.0899
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0017 0.0112 0.084
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0183 0.0247
Leishmania major cytochrome p450-like protein 0.0028 0.024 0.0444
Mycobacterium ulcerans hypothetical protein 0.0029 0.0261 0.3343
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0348 0.0899
Loa Loa (eye worm) hypothetical protein 0.0032 0.029 0.0707
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0017 0.0112 0.084
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0024 0.0012
Toxoplasma gondii exonuclease III APE 0.0023 0.018 0.0099
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0442 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0468 0.0457
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0261 0.0517
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0442 0.1143
Onchocerca volvulus 0.0038 0.0359 0.1005
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.024 0.0444
Toxoplasma gondii PAN domain-containing protein 0.0583 0.6967 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0013 0.0062 0.005
Toxoplasma gondii hypothetical protein 0.0038 0.0359 0.0361
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0261 0.0517
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0468 0.116
Brugia malayi CXXC zinc finger family protein 0.0035 0.0325 0.0955
Toxoplasma gondii PAN/Apple domain-containing protein 0.0038 0.0359 0.0361
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0017 0.0112 0.084
Schistosoma mansoni hypothetical protein 0.0035 0.0328 0.0317
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.018 0.0428
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0049 0.0096
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0017 0.0112 0.084
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0442 0.0431
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0183 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0013 0.0062 0.005
Brugia malayi Cytochrome P450 family protein 0.0063 0.067 0.2007
Brugia malayi Trypsin family protein 0.0013 0.0062 0.0153
Plasmodium falciparum importin beta, putative 0.0031 0.0283 0.697
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.018 0.0513
Schistosoma mansoni inositol monophosphatase 0.0044 0.0442 0.0431
Loa Loa (eye worm) PAN domain-containing protein 0.0038 0.0359 0.0885
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.024 0.2992
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.018 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0726
Onchocerca volvulus 0.0038 0.0359 0.1005
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0094 0.0083
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0024 0.0012
Loa Loa (eye worm) inositol-1 0.0044 0.0442 0.1094
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0183 0.0172
Schistosoma mansoni ran 0.0023 0.0183 0.0172
Echinococcus granulosus Mastin 0.0013 0.0062 0.005
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0017 0.0112 0.084
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Schistosoma mansoni hypothetical protein 0.0494 0.5888 0.5884
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0468 0.139
Trypanosoma cruzi hypothetical protein, conserved 0.0255 0.2997 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0348 0.0899
Onchocerca volvulus 0.0037 0.0348 0.0966
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 0.0328 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0283 0.025
Echinococcus multilocularis cpg binding protein 0.0037 0.0349 0.0338
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0017 0.0112 0.084
Mycobacterium ulcerans beta-lactamase 0.0037 0.0348 0.4802
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0017 0.0112 0.084
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0442 0.0481
Schistosoma mansoni hypothetical protein 0.0076 0.0827 0.0816
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0657 1
Onchocerca volvulus 0.0038 0.0359 0.1005
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Schistosoma mansoni lamin 0.0032 0.0297 0.0286
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Brugia malayi Pre-SET motif family protein 0.0226 0.2644 0.8024
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0348 0.8625
Loa Loa (eye worm) PAN domain-containing protein 0.0038 0.0359 0.0885
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0297 0.0726
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0029 0.0261 0.0568
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0024 0.0012
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Toxoplasma gondii PAN domain-containing protein 0.0038 0.0359 0.0361
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0827 0.0816
Onchocerca volvulus 0.0038 0.0359 0.1005
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0094 0.0083
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Loa Loa (eye worm) beta-lactamase 0.0037 0.0348 0.0855
Loa Loa (eye worm) cytochrome P450 0.0017 0.0112 0.0255
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0017 0.0112 0.084
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0442 0.4049
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Brugia malayi Protein kinase domain containing protein 0.0035 0.0328 0.0964
Echinococcus multilocularis 0.0017 0.0112 0.01
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0657 0.2079
Brugia malayi Kringle domain containing protein 0.0035 0.0328 0.0964
Brugia malayi Cytochrome P450 family protein 0.0017 0.0112 0.0306
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0657 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1471 0.3712
Schistosoma mansoni cpg binding protein 0.0035 0.0325 0.0314
Echinococcus granulosus lamin dm0 0.0032 0.0297 0.0286
Plasmodium vivax importin-beta 2, putative 0.0031 0.0283 0.6144
Brugia malayi Trypsin family protein 0.0013 0.0062 0.0153
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Echinococcus multilocularis Mastin 0.0013 0.0062 0.005
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0442 0.1143
Echinococcus granulosus glycoprotein Antigen 5 0.0013 0.0062 0.005
Mycobacterium ulcerans lipase LipD 0.0037 0.0348 0.4802
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0115 0.0315
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.024 0.0444
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.024 0.0581
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0348 0.0899
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0183 0.0247
Entamoeba histolytica Ran family GTPase 0.0023 0.0183 0.0051
Schistosoma mansoni importin beta-1 0.0031 0.0283 0.0272
Echinococcus multilocularis glycoprotein Antigen 5 0.0013 0.0062 0.005
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0827 0.0816
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0306 0.0294
Schistosoma mansoni ap endonuclease 0.0023 0.018 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0328 0.0749
Entamoeba histolytica hypothetical protein 0.0076 0.0827 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.0328 0.0805
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.018 0.0595
Leishmania major hypothetical protein, conserved 0.0037 0.0348 0.0818
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0348 0.1025
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0049 0.0038
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0348 0.4802
Brugia malayi RNA, U transporter 1 0.0089 0.0981 0.2953
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0212 0.0345
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0306 0.0294
Onchocerca volvulus 0.0038 0.0359 0.1005
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0017 0.0112 0.084
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.024 0.0581
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0029 0.0261 0.3343
Onchocerca volvulus 0.0032 0.0297 0.0794
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0282 0.0271
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.3943 1
Schistosoma mansoni inositol monophosphatase 0.0044 0.0442 0.0431
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0183 0.0196
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0017 0.0112 0.084
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0442 0.6379
Toxoplasma gondii PAN domain-containing protein 0.0038 0.0359 0.0361
Toxoplasma gondii kringle domain-containing protein 0.0035 0.0328 0.0315
Onchocerca volvulus 0.0035 0.0325 0.0889
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0348 0.0818
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0442 0.1143
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Echinococcus granulosus importin subunit beta 1 0.0031 0.0283 0.0272
Echinococcus multilocularis snurportin 1 0.0333 0.3943 0.3936
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0049 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0306 0.0294
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0024 0.0012
Entamoeba histolytica hypothetical protein 0.0076 0.0827 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0748
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0827 0.0816
Echinococcus granulosus lamin 0.0032 0.0297 0.0286
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0013 0.0062 0.005
Toxoplasma gondii PAN domain-containing protein 0.0038 0.0359 0.0361
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0325 0.0797
Toxoplasma gondii microneme protein MIC17B 0.0038 0.0359 0.0361
Loa Loa (eye worm) hypothetical protein 0.0035 0.0328 0.0805
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.2644 0.6697
Leishmania major GTP-binding protein, putative 0.0023 0.0183 0.0247
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0306 0.0283
Loa Loa (eye worm) hypothetical protein 0.0037 0.0348 0.0855
Loa Loa (eye worm) PAN domain-containing protein 0.0038 0.0359 0.0885
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0283 0.0272
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0183 0.0172
Brugia malayi Pre-SET motif family protein 0.0033 0.0306 0.0896
Echinococcus multilocularis lamin 0.0032 0.0297 0.0286
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0017 0.0112 0.084
Echinococcus granulosus cpg binding protein 0.0037 0.0349 0.0338
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.018 0.1982
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0062 0.005
Echinococcus granulosus enteropeptidase 0.0013 0.0062 0.005
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2735 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0885
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0017 0.0112 0.084
Brugia malayi hypothetical protein 0.0013 0.0062 0.0153
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.018 0.0236
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni cytochrome P450 0.0017 0.0112 0.01
Schistosoma mansoni intermediate filament proteins 0.0032 0.0297 0.0286
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0029 0.0261 0.3343
Echinococcus multilocularis musashi 0.0032 0.0297 0.0286
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0468 0.0457
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0715 0.088
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.0338
Leishmania major hypothetical protein, conserved 0.0255 0.2997 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0348 0.1151
Schistosoma mansoni hypothetical protein 0.0013 0.0062 0.005
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0442 0.1143
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1471 0.3712
Brugia malayi beta-lactamase 0.0037 0.0348 0.1025
Brugia malayi PAN domain containing protein 0.0038 0.0359 0.106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0468 0.0457
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0029 0.0261 0.3343
Entamoeba histolytica hypothetical protein 0.0025 0.0212 0.0489
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0348 0.0818
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.018 0.0169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0468 0.0457
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0348 0.0899
Onchocerca volvulus 0.0033 0.0306 0.0824
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0017 0.0112 0.084
Brugia malayi hypothetical protein 0.0076 0.0827 0.2484
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0029 0.0261 0.0517
Onchocerca volvulus 0.0037 0.0348 0.0966
Brugia malayi beta-lactamase family protein 0.0037 0.0348 0.1025
Onchocerca volvulus 0.0032 0.0297 0.0794
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0442 0.1462
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0013 0.0062 0.0153
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.018 0.0236
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0348 0.1151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0468 0.0457
Loa Loa (eye worm) CYP4Cod1 0.0028 0.024 0.0581
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.018 0.0236
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5888 0.5884
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Toxoplasma gondii PAN domain-containing protein 0.0583 0.6967 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.024 0.0696
Echinococcus multilocularis enteropeptidase 0.0013 0.0062 0.005
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0062 0.005
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0183 0.0523
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0607 0.1514
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0348 0.0337
Brugia malayi MH2 domain containing protein 0.0129 0.1471 0.4448
Trypanosoma brucei cytochrome P450, putative 0.0028 0.024 0.0444
Onchocerca volvulus 0.0038 0.0359 0.1005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0212 0.07
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0348 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0385 0.1043
Toxoplasma gondii ABC1 family protein 0.0037 0.0348 0.0344
Loa Loa (eye worm) hypothetical protein 0.0013 0.0062 0.0128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0348 0.0337
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0348 0.1151
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5888 0.5884
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0348 0.0337
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0442 0.1462
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0183 0.0247
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0183 0.0437
Plasmodium vivax SET domain protein, putative 0.0033 0.0306 0.7485
Toxoplasma gondii microneme protein, putative 0.0038 0.0359 0.0361
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0348 0.1151
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0657 0.0647

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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