Detailed information for compound 1427936

Basic information

Technical information
  • TDR Targets ID: 1427936
  • Name: N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamin o]pyrimidin-2-yl]phenyl]methanesulfonamide
  • MW: 437.515 | Formula: C22H23N5O3S
  • H donors: 3 H acceptors: 4 LogP: 3.2 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(CCNc1ccnc(n1)c1cccc(c1)NS(=O)(=O)C)c[nH]2
  • InChi: 1S/C22H23N5O3S/c1-30-18-6-7-20-19(13-18)16(14-25-20)8-10-23-21-9-11-24-22(26-21)15-4-3-5-17(12-15)27-31(2,28)29/h3-7,9,11-14,25,27H,8,10H2,1-2H3,(H,23,24,26)
  • InChiKey: CHFAKDLEJQNOSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-pyrimidinyl]phenyl]methanesulfonamide
  • NCGC00012149
  • PCOP-731506

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 556 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) CYP4Cod1 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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum 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 braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Long conserved protein 0.0599 0.716 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0193
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0283 0.0777
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0283 0.3109
Echinococcus multilocularis Transglutaminase 0.0599 0.716 0.716
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0642 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0155 0.0048
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0713 0.2068
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0327 0.0327
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0021 0.0155 0.0048
Loa Loa (eye worm) hypothetical protein 0.0024 0.0184 0.0481
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0642 0.074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0455 0.0455
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0642 0.0642
Echinococcus multilocularis GPCR, family 2 0.0016 0.0088 0.0088
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0026 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0455 0.0455
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0088 0.0088
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0642 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0021 0.0155 0.0048
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0283 0.3109
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0327 0.0327
Brugia malayi Cytochrome P450 family protein 0.0021 0.0155 0.0183
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0312 0.0404
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0155 0.0048
Onchocerca volvulus 0.0035 0.0316 0.014
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0155 0.0048
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0642 0.1853
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0455 0.0455
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0155 0.0645
Leishmania major cytochrome p450-like protein 0.0021 0.0155 0.0645
Schistosoma mansoni cpg binding protein 0.0037 0.034 0.034
Echinococcus multilocularis RUN 0.0024 0.0184 0.0184
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0021 0.0155 0.0645
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0121 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0642 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0155 0.0048
Loa Loa (eye worm) cytochrome P450 0.0021 0.0155 0.0392
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0455 0.1292
Schistosoma mansoni hypothetical protein 0.0024 0.0184 0.0184
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0642 0.0642
Mycobacterium ulcerans putative transglutaminase-like protein 0.0599 0.716 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0021 0.0155 0.0048
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0024 0.0184 0.0481
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3358 0.3358
Schistosoma mansoni hypothetical protein 0.0021 0.0155 0.0155
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0704 0.0704
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0184 0.0481
Mycobacterium ulcerans hypothetical protein 0.0599 0.716 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0283 0.0777
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3358 0.3358
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0184 0.0184
Brugia malayi Cytochrome P450 family protein 0.0032 0.0283 0.0363
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0021 0.0155 0.0048
Entamoeba histolytica hypothetical protein 0.0036 0.0327 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0088 0.009
Schistosoma mansoni cpg binding protein 0.0035 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0034 0.0312 0.0864
Mycobacterium tuberculosis Conserved protein 0.0599 0.716 1
Schistosoma mansoni hypothetical protein 0.0058 0.0602 0.0602
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0184 0.0184
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0155 0.0048
Schistosoma mansoni ap endonuclease 0.0019 0.0121 0.0121
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0026
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0155 0.0155
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0455 0.0455
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0021 0.0155 0.0048
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0121 0.0292
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0026
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0155 0.0048
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0642 0.074
Schistosoma mansoni rab6-interacting 0.0024 0.0184 0.0184
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0121 0.0121
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0088 0.0088
Giardia lamblia Hypothetical protein 0.0599 0.716 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0021 0.0155 0.0048
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0184 0.0184
Schistosoma mansoni lipoxygenase 0.0024 0.0184 0.0184
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0155 0.0048
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0184 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0184 0.0184
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0021 0.0155 0.0645
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0642 0.9114
Entamoeba histolytica hypothetical protein 0.0036 0.0327 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0642 0.074
Brugia malayi hypothetical protein 0.0286 0.3358 0.4672
Echinococcus granulosus cpg binding protein 0.0037 0.034 0.034
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0155 0.0048
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0021 0.0155 0.0048
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0184 0.0184
Entamoeba histolytica hypothetical protein 0.0036 0.0327 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0121 0.0136
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0021 0.0155 0.0048
Echinococcus granulosus Transglutaminase 0.0599 0.716 0.716
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0021 0.0155 0.0048
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0021 0.0155 0.0048
Brugia malayi Cytochrome P450 family protein 0.0032 0.0283 0.0363
Brugia malayi MAP kinase sur-1 0.0062 0.0642 0.0866
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0642 0.074
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0155 0.0048
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0494 0.5885 0.5885
Schistosoma mansoni hypothetical protein 0.0034 0.0312 0.0312
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0088 0.0193
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0088 0.009
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0155 0.0588
Schistosoma mansoni loxhd1 0.0024 0.0184 0.0184
Echinococcus granulosus RUN 0.0024 0.0184 0.0184
Schistosoma mansoni ap endonuclease 0.0019 0.0121 0.0121
Brugia malayi CXXC zinc finger family protein 0.0035 0.0316 0.0409
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0155 0.0048
Brugia malayi Thioredoxin family protein 0.0599 0.716 1
Schistosoma mansoni hypothetical protein 0.0036 0.0327 0.0327
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0642 0.0642
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0021 0.0155 0.0645
Echinococcus multilocularis 0.0021 0.0155 0.0155
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0286 0.3358 1
Schistosoma mansoni hypothetical protein 0.0599 0.716 0.716
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0021 0.0155 0.0048
Mycobacterium ulcerans hypothetical protein 0.0599 0.716 1
Mycobacterium ulcerans transglutaminase family protein 0.0599 0.716 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0692 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0642 1
Brugia malayi hypothetical protein 0.0036 0.0327 0.0425
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0121 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0283 0.023
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0505 0.0674
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0155 0.0048
Schistosoma mansoni survival motor neuron protein 0.0058 0.0602 0.0602
Schistosoma mansoni cytochrome P450 0.0021 0.0155 0.0155
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0704 0.0704
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0327 0.0327
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0802 0.9619 0.9619
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5885 0.5885
Brugia malayi Cytochrome P450 family protein 0.0067 0.0713 0.0966
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0316 0.0876
Trypanosoma brucei protein kinase, putative 0.0062 0.0642 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0599 0.716 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0799 0.9589 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0021 0.0155 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0505 0.1442
Schistosoma mansoni polycystin 1-related 0.0024 0.0184 0.0184
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0155 0.0048
Leishmania major cytochrome p450-like protein 0.0021 0.0155 0.0645
Schistosoma mansoni rab6-interacting 0.0024 0.0184 0.0184
Leishmania major cytochrome p450-like protein 0.0032 0.0283 0.3109
Mycobacterium tuberculosis Hypothetical protein 0.0599 0.716 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0599 0.716 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0155 0.0048
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0455 0.0603
Echinococcus multilocularis cpg binding protein 0.0037 0.034 0.034
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0184 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0155 0.0048
Schistosoma mansoni hypothetical protein 0.0016 0.0088 0.0088
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0021 0.0155 0.0048
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0283 0.3109
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0184 0.0184
Schistosoma mansoni lipoxygenase 0.0067 0.0704 0.0704
Brugia malayi hypothetical protein 0.0024 0.0184 0.0225
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0021 0.0155 0.0048
Brugia malayi hypothetical protein 0.0024 0.0184 0.0225
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0788 0.0788
Entamoeba histolytica hypothetical protein 0.0036 0.0327 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0642 0.074
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0283 0.0777
Schistosoma mansoni cpg binding protein 0.0037 0.034 0.034
Echinococcus granulosus GPCR family 2 0.0016 0.0088 0.0088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.005 0.0505 0.1442
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5885 0.5885
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0455 0.0455
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0642 0.0642
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0642 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0021 0.0155 0.0048
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0155 0.0048
Mycobacterium leprae Conserved hypothetical protein 0.0599 0.716 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0602 0.081
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0155 0.0048
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0642 0.0642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0455 0.0455
Giardia lamblia Transglutaminase/protease, putative 0.0599 0.716 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0021 0.0155 0.0048
Mycobacterium leprae Conserved hypothetical protein 0.0599 0.716 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0642 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0155 0.0645
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0021 0.0155 0.0048
Trichomonas vaginalis peptide N-glycanase, putative 0.0599 0.716 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0155 0.0048
Brugia malayi cytochrome P450 0.0021 0.0155 0.0183
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0021 0.0155 0.0048
Brugia malayi Doublecortin family protein 0.0024 0.0184 0.0225
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0455 0.0455
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0505 0.0674
Onchocerca volvulus 0.0058 0.0602 0.0444
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0642 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 0.125892541 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) = 1.584893192 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
AC50 (functional) = 2.511886432 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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 19.95262315 uM 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
Potency (ADMET) = 0.1259 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 (ADMET) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 2.5119 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 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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