Detailed information for compound 1001403

Basic information

Technical information
  • TDR Targets ID: 1001403
  • Name: 5-chloro-2-methoxy-N-pyridin-4-ylbenzamide
  • MW: 262.692 | Formula: C13H11ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)Nc1ccncc1)Cl
  • InChi: 1S/C13H11ClN2O2/c1-18-12-3-2-9(14)8-11(12)13(17)16-10-4-6-15-7-5-10/h2-8H,1H3,(H,15,16,17)
  • InChiKey: XNSYDSWTCWLVTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-2-methoxy-N-(4-pyridyl)benzamide
  • 5-Chloro-2-methoxy-N-pyridin-4-yl-benzamide
  • 5703-54-8
  • BIM-0049150.P001
  • Oprea1_388576
  • CBMicro_049157
  • MLS001205238
  • SMR000523778
  • BAS 06764309
  • STK182191
  • AO-548/40047493
  • ZINC00433996

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens potassium large conductance calcium-activated channel, subfamily M, alpha member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma mansoni calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum IPR003929,Calcium-activated BK potassium channel, alpha subunit,domain-containing Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus calcium activated potassium channel variant Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis potassium large conductance calcium activated Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus calcium activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) MaxiK calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus potassium large conductance calcium activated Get druggable targets OG5_130388 All targets in OG5_130388
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum expressed protein Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum ko:K05390 potassium large conductance calcium-activated channel, subfamily M,, putative Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum Calcium-activated potassium channel slo-1, putative Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis calcium activated potassium channel variant Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis calcium activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0055 0.0127 0.0465
Loa Loa (eye worm) CXXC zinc finger family protein 0.0157 0.0582 0.0663
Echinococcus multilocularis microtubule associated protein 2 0.135 0.5916 0.6009
Trichomonas vaginalis bromodomain-containing protein, putative 0.0055 0.0127 0.0121
Brugia malayi CHD4 protein 0.004 0.0059 0.0068
Onchocerca volvulus 0.0041 0.0064 0.0064
Echinococcus multilocularis peregrin 0.0042 0.0071 0.0072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0524 0.0532
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0608 0.2599 1
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0352 0.0358
Toxoplasma gondii hypothetical protein 0.005 0.0105 0.076
Echinococcus granulosus dnaJ subfamily B 0.223 0.9844 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0232 0.0918 0.3516
Schistosoma mansoni microtubule-associated protein tau 0.135 0.5916 0.6009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.0116 0.0118
Schistosoma mansoni hypothetical protein 0.223 0.9844 1
Brugia malayi beta-lactamase family protein 0.0041 0.0064 0.0073
Echinococcus granulosus mixed lineage leukemia protein mll 0.0049 0.0103 0.0105
Echinococcus granulosus fetal alzheimer antigen falz 0.0078 0.0229 0.0233
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0021 0.0022
Schistosoma mansoni hypothetical protein 0.0377 0.1567 0.1592
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0105 0.0352 0.0358
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0033 0.003 0.0258
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.126 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0064 0.0065
Echinococcus multilocularis dnaJ subfamily B 0.223 0.9844 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0021 0.0024
Loa Loa (eye worm) glutaminase 0.057 0.243 0.277
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.034 0.1403 0.1425
Echinococcus granulosus cpg binding protein 0.0171 0.0648 0.0658
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.126 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.034 0.1403 0.1425
Brugia malayi Pre-SET motif family protein 0.199 0.8774 1
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0152 0.0145
Onchocerca volvulus 0.0029 0.0011 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0064 0.0058
Echinococcus multilocularis geminin 0.0377 0.1567 0.1592
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0115 0.0117
Trichomonas vaginalis helicase, putative 0.0035 0.0041 0.0035
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0064 0.0073
Schistosoma mansoni calcium-activated potassium channel 0.0056 0.0132 0.0134
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Brugia malayi serine/threonine-protein kinase plk-2 0.0105 0.0352 0.0401
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.0636 0.0646
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0182 0.0696 0.266
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0115 0.0109
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0076 0.056
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0049 0.0103 0.0105
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0115 0.0109
Brugia malayi Bromodomain containing protein 0.0042 0.0071 0.0081
Toxoplasma gondii ABC1 family protein 0.0041 0.0064 0.0448
Loa Loa (eye worm) PHD-finger family protein 0.0063 0.0163 0.0186
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0064 0.0463
Echinococcus multilocularis chromobox protein 1 0.0152 0.056 0.0569
Onchocerca volvulus Serine\/threonine kinase homolog 0.0105 0.0352 0.0352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0524 0.0532
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0064 0.0065
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0115 0.0117
Loa Loa (eye worm) glutathione reductase 0.008 0.0239 0.0273
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0037 0.0048 0.0055
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0239 0.0899
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0149 0.0151
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0055 0.0127 0.0929
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0535 0.4214
Brugia malayi Probable ClpP-like protease 0.0232 0.0918 0.1046
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 0.3516
Loa Loa (eye worm) hypothetical protein 0.0232 0.0918 0.1046
Loa Loa (eye worm) histone methyltransferase 0.0059 0.0146 0.0166
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.199 0.8774 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0076 0.0077
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0109 0.0372 0.0377
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0055 0.0127 0.0121
Trypanosoma cruzi ISWI complex protein 0.0047 0.0091 0.0674
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0313 0.1282 0.1302
Loa Loa (eye worm) hypothetical protein 0.0067 0.018 0.0206
Trichomonas vaginalis glutaminase, putative 0.057 0.243 0.2425
Schistosoma mansoni rotamase 0.0108 0.0366 0.0372
Echinococcus multilocularis tumor protein p63 0.0332 0.1367 0.1388
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 1
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0064 0.0224
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0232 0.0918 0.0932
Entamoeba histolytica serine/threonine protein kinase, putative 0.0105 0.0352 0.9886
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0049 0.0103 0.0105
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.126 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Mycobacterium ulcerans glutaminase 0.057 0.243 0.9348
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0106 0.0355 0.2782
Mycobacterium ulcerans lipase LipD 0.0041 0.0064 0.0224
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0243 0.0247
Brugia malayi Ets-domain containing protein 0.0158 0.0587 0.0669
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0152 0.0145
Mycobacterium tuberculosis Conserved protein 0.0041 0.0064 0.0224
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0337 0.0342
Echinococcus granulosus geminin 0.0377 0.1567 0.1592
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0077 0.0273
Brugia malayi CXXC zinc finger family protein 0.0157 0.0582 0.0663
Schistosoma mansoni SET domain protein 0.0029 0.0011 0.0011
Onchocerca volvulus Alhambra homolog 0.0031 0.0021 0.0021
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0052 0.0115 0.0117
Loa Loa (eye worm) hypothetical protein 0.034 0.1403 0.1599
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0152 0.0173
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0119 0.0897
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Loa Loa (eye worm) hypothetical protein 0.0135 0.0485 0.0553
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0608 0.2599 1
Trypanosoma cruzi ISWI complex protein 0.0047 0.0091 0.0674
Plasmodium vivax thioredoxin reductase, putative 0.008 0.0239 0.0899
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0108 0.0366 0.0418
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0064 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0524 0.0532
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0021 0.0022
Brugia malayi chromobox protein homolog 3 0.0085 0.0262 0.0299
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0109 0.0372 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Echinococcus granulosus calcium activated potassium channel variant 0.0052 0.0115 0.0116
Brugia malayi SET domain containing protein 0.0029 0.0011 0.0012
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.0636 0.0646
Echinococcus granulosus histone lysine methyltransferase setb 0.034 0.1403 0.1425
Loa Loa (eye worm) beta-lactamase 0.0041 0.0064 0.0073
Brugia malayi PHD-finger family protein 0.0031 0.0021 0.0024
Loa Loa (eye worm) acetyltransferase 0.0169 0.0636 0.0725
Toxoplasma gondii peptidylprolyl isomerase 0.0106 0.0355 0.2687
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0041 0.0067 0.0061
Onchocerca volvulus 0.0157 0.0582 0.0582
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0182 0.0696 0.2492
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0064 0.0224
Toxoplasma gondii histone lysine methyltransferase SET1 0.0318 0.1304 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0064 0.0058
Giardia lamblia PHD finger protein 15 0.0031 0.0021 0.0435
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0052 0.0115 0.0131
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0076 0.056
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.0116 0.0118
Loa Loa (eye worm) hypothetical protein 0.0117 0.0405 0.0461
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0152 0.0561 0.2141
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.034 0.1403 0.1425
Echinococcus multilocularis calcium activated potassium channel 0.0056 0.0134 0.0136
Mycobacterium tuberculosis Conserved protein 0.0041 0.0064 0.0224
Echinococcus multilocularis potassium large conductance calcium activated 0.0056 0.0132 0.0134
Brugia malayi Bromodomain containing protein 0.0241 0.0961 0.1095
Loa Loa (eye worm) hypothetical protein 0.0215 0.0845 0.0963
Brugia malayi F/Y-rich N-terminus family protein 0.0074 0.0214 0.0244
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0033 0.003 0.0181
Echinococcus granulosus microtubule associated protein 2 0.135 0.5916 0.6009
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0608 0.2599 1
Loa Loa (eye worm) thioredoxin reductase 0.008 0.0239 0.0273
Brugia malayi PHD-finger family protein 0.0089 0.0279 0.0318
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0274 0.1109 0.1126
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0152 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0021 0.0116
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.004 0.0059 0.006
Mycobacterium ulcerans hypothetical protein 0.0162 0.0608 0.2323
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0182 0.0696 0.266
Trichomonas vaginalis rotamase, putative 0.0108 0.0366 0.036
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0106 0.0355 0.2782
Schistosoma mansoni ets-related 0.0479 0.2021 0.2053
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0195 0.0752 0.0764
Brugia malayi SET domain containing protein 0.0039 0.0056 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.1043 0.4
Echinococcus granulosus zinc finger protein 0.0072 0.0207 0.021
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0182 0.0696 0.266
Leishmania major trypanothione reductase 0.008 0.0239 0.1857
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0152 0.0561 0.1961
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.0055
Schistosoma mansoni hypothetical protein 0.0031 0.0021 0.0022
Onchocerca volvulus 0.0041 0.0064 0.0064
Trichomonas vaginalis esterase, putative 0.0041 0.0064 0.0058
Schistosoma mansoni cpg binding protein 0.0157 0.0582 0.0591
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0202 0.0787 0.301
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0064 0.0463
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0106 0.0355 0.2782
Brugia malayi glutathione reductase 0.008 0.0239 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0366 0.036
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0064 0.0224
Echinococcus granulosus calcium activated potassium channel 0.0056 0.0134 0.0136
Brugia malayi jmjC domain containing protein 0.0052 0.0116 0.0133
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0085 0.0262 0.0262
Echinococcus multilocularis cpg binding protein 0.0171 0.0648 0.0658
Echinococcus granulosus histone acetyltransferase KAT2B 0.0055 0.0127 0.0129
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.0636 0.0725
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0028 0.0006 0.0007
Mycobacterium tuberculosis Probable dehydrogenase 0.0182 0.0696 0.266
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0067 0.0076
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0021 0.0024
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0078 0.0229 0.0233
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0064 0.0073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0524 0.0532
Echinococcus granulosus chromobox protein 1 0.0152 0.056 0.0569
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0076 0.056
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0152 0.0173
Schistosoma mansoni zinc finger protein 0.0047 0.0091 0.0092
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.003 0.0188
Trypanosoma brucei ISWI complex protein 0.0047 0.0091 0.0674
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.004 0.0059 0.006
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0076 0.0077
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0078 0.0229 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0064 0.0463
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Loa Loa (eye worm) heterochromatin protein 1 0.0152 0.056 0.0639
Trichomonas vaginalis rotamase, putative 0.0106 0.0355 0.0349
Giardia lamblia Kinase, PLK 0.0105 0.0352 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Schistosoma mansoni cpg binding protein 0.0171 0.0648 0.0658
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 0.3516
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0064 0.0058
Echinococcus granulosus lysine specific demethylase 5A 0.0052 0.0116 0.0118
Schistosoma mansoni cpg binding protein 0.0171 0.0648 0.0658
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0033 0.003 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.003 0.0188
Echinococcus multilocularis GA binding protein alpha chain 0.0158 0.0587 0.0596
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0232 0.0918 0.7022
Echinococcus multilocularis thioredoxin glutathione reductase 0.0081 0.0244 0.0248
Loa Loa (eye worm) hypothetical protein 0.0987 0.4293 0.4893
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0059 0.0146 0.0148
Loa Loa (eye worm) hypothetical protein 0.0128 0.0455 0.0518
Plasmodium falciparum thioredoxin reductase 0.008 0.0239 0.0899
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0608 0.2599 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Loa Loa (eye worm) hypothetical protein 0.0049 0.01 0.0114
Loa Loa (eye worm) glutaminase 2 0.057 0.243 0.277
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0288 0.1171 0.119
Mycobacterium tuberculosis Conserved protein 0.0041 0.0064 0.0224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0524 0.0532
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0239 0.0899
Echinococcus multilocularis zinc finger protein 0.0072 0.0207 0.021
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0262 0.0256
Brugia malayi Fli-1 protein 0.0479 0.2021 0.2304
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.008 0.0239 0.0899
Plasmodium vivax SET domain protein, putative 0.0288 0.1171 0.4493
Onchocerca volvulus 0.0067 0.018 0.018
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0105 0.0352 0.0358
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0064 0.0058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.0608 0.2323
Onchocerca volvulus 0.0049 0.01 0.01
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 0.3516
Brugia malayi beta-lactamase 0.0041 0.0064 0.0073
Schistosoma mansoni zinc finger protein 0.0072 0.0207 0.021
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0028 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0143 0.052 0.0593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0524 0.0532
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0091 0.0291 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0079 0.0072
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0044 0.0079 0.0072
Trypanosoma brucei polo-like protein kinase 0.0105 0.0352 0.2756
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0028 0.0006 0.0006
Trypanosoma cruzi polo-like protein kinase, putative 0.0105 0.0352 0.2756
Trichomonas vaginalis set domain proteins, putative 0.2265 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0052 0.0116 0.0133
Schistosoma mansoni glutaminase 0.057 0.243 0.2468
Brugia malayi beta-lactamase family protein 0.0041 0.0064 0.0073
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.01 0.0101
Leishmania major hypothetical protein, conserved 0.0047 0.0091 0.0674
Loa Loa (eye worm) hypothetical protein 0.006 0.0152 0.0173
Brugia malayi Pre-SET motif family protein 0.0288 0.1171 0.1335
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0232 0.0918 0.0932
Brugia malayi glutaminase DH11.1 0.057 0.243 0.277
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.005 0.0051
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0064 0.0224
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.126 1
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0064 0.0224
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0064 0.0224
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0202 0.0787 0.301
Plasmodium vivax glutathione reductase, putative 0.008 0.0239 0.0899
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0152 0.0173
Plasmodium falciparum phd finger protein, putative 0.0031 0.0021 0.0058
Echinococcus multilocularis peptidase Clp (S14 family) 0.0152 0.0561 0.057
Mycobacterium tuberculosis Probable reductase 0.0182 0.0696 0.266
Echinococcus multilocularis chromobox protein 1 0.0152 0.056 0.0569
Echinococcus granulosus peptidase Clp S14 family 0.0152 0.0561 0.057
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0077 0.2048
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.0535 0.4214
Trypanosoma cruzi polo-like protein kinase, putative 0.0105 0.0352 0.2756
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0195 0.0752 0.0764
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0059 0.0146 0.0148
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0232 0.0918 0.3368
Loa Loa (eye worm) bromodomain containing protein 0.0058 0.0141 0.016
Plasmodium falciparum glutathione reductase 0.008 0.0239 0.0899
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0021 0.0116
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0524 0.0532
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0041 0.0035
Schistosoma mansoni chromobox protein 0.0152 0.056 0.0569
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0288 0.1171 0.8972
Brugia malayi Thioredoxin reductase 0.008 0.0239 0.0273
Leishmania major hypothetical protein, conserved 0.0041 0.0064 0.0463
Schistosoma mansoni hypothetical protein 0.0377 0.1567 0.1592
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Schistosoma mansoni chromobox protein 0.0152 0.056 0.0569
Schistosoma mansoni peptidase Clp (S14 family) 0.0232 0.0918 0.0932
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0064 0.0224
Schistosoma mansoni bromodomain containing protein 0.0206 0.0801 0.0814
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Schistosoma mansoni kinase 0.0053 0.0121 0.0123
Brugia malayi Bromodomain containing protein 0.0121 0.0421 0.048
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0202 0.0787 0.285
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0028 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0053 0.012 0.0137
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.0583 0.0593
Schistosoma mansoni hypothetical protein 0.0063 0.0163 0.0166
Loa Loa (eye worm) hypothetical protein 0.0041 0.0067 0.0076
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0105 0.0352 0.2756
Echinococcus granulosus methyl CpG binding domain protein 2 0.0052 0.0115 0.0117
Brugia malayi jmjC domain containing protein 0.0102 0.0337 0.0384
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0105 0.0352 0.0401
Loa Loa (eye worm) CHromoDomain protein family member 0.004 0.0059 0.0068
Mycobacterium tuberculosis Probable oxidoreductase 0.0202 0.0787 0.301
Toxoplasma gondii thioredoxin reductase 0.008 0.0239 0.1795
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.003 0.0188
Echinococcus granulosus expressed protein 0.0108 0.0366 0.0372
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0355 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0169 0.0192
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0182 0.0696 0.266
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.006 0.0152 0.0146
Trypanosoma cruzi trypanothione reductase, putative 0.008 0.0239 0.1857
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0288 0.1171 0.119
Toxoplasma gondii hypothetical protein 0.008 0.0239 0.1796
Brugia malayi Ets-domain containing protein 0.0158 0.0587 0.0669
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0064 0.0224
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0049 0.0103 0.0105
Schistosoma mansoni gabp alpha 0.0158 0.0587 0.0596
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.006 0.0152 0.0146
Schistosoma mansoni hypothetical protein 0.0041 0.0067 0.0068
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0108 0.0366 0.0418
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.0524 0.0597
Treponema pallidum hypothetical protein 0.0608 0.2599 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0064 0.0224
Trichomonas vaginalis chromobox protein, putative 0.0091 0.0291 0.0285
Echinococcus granulosus thioredoxin glutathione reductase 0.0081 0.0244 0.0248
Onchocerca volvulus 0.0313 0.1282 0.1282
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.003 0.0188
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0073
Schistosoma mansoni hypothetical protein 0.0047 0.0091 0.0092
Trichomonas vaginalis chromobox protein, putative 0.0152 0.056 0.0554
Schistosoma mansoni chromodomain helicase DNA binding protein 0.004 0.0059 0.006
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0535 0.4214
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0152 0.0561 0.2141
Echinococcus granulosus tumor protein p63 0.0332 0.1367 0.1388
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0352 0.0346
Echinococcus granulosus peregrin 0.0042 0.0071 0.0072
Echinococcus multilocularis expressed protein 0.0108 0.0366 0.0372
Loa Loa (eye worm) hypothetical protein 0.0085 0.0262 0.0299
Brugia malayi Heterochromatin protein 1 0.0152 0.056 0.0639
Echinococcus granulosus potassium large conductance calcium activated 0.0056 0.0132 0.0134
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0106 0.0355 0.2782
Brugia malayi hypothetical protein 0.0987 0.4293 0.4893
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.0524 0.0597
Echinococcus multilocularis calcium activated potassium channel variant 0.0052 0.0115 0.0116
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0055 0.0127 0.0929
Mycobacterium ulcerans beta-lactamase 0.0041 0.0064 0.0224
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0076 0.056
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0232 0.0918 0.3516
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0262 0.0256
Trichomonas vaginalis chromobox protein, putative 0.0091 0.0291 0.0285
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0239 0.0899
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.008 0.0239 0.069
Trichomonas vaginalis chromobox protein, putative 0.0152 0.056 0.0554
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0021 0.0022
Onchocerca volvulus 0.0041 0.0064 0.0064
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0037 0.0048 0.0055
Onchocerca volvulus 0.0987 0.4293 0.4293
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0337 0.0342
Trypanosoma brucei trypanothione reductase 0.008 0.0239 0.1857
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0064 0.0058
Schistosoma mansoni calcium-activated potassium channel 0.0052 0.0115 0.0116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0064 0.0065
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0232 0.0918 0.7022
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0343 0.1413 0.1435
Echinococcus granulosus chromobox protein 1 0.0152 0.056 0.0569
Echinococcus granulosus GA binding protein alpha chain 0.0158 0.0587 0.0596
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0064 0.0224
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0064 0.0224
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0608 0.2599 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0158 0.0587 0.0669
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0021 0.0058
Loa Loa (eye worm) fli-1 protein 0.0479 0.2021 0.2304

Activities

Activity type Activity value Assay description Source Reference
EC40 (binding) = 1.12 mM Activation of human BKCA alpha channel expressed in HEK293 cells assessed as increase of rubidium efflux after 10 mins ChEMBL. 23707646
EC40 (binding) = 4.16 mM Activation of human BKCA alpha/beta1 channel expressed in HEK293 cells assessed as increase of rubidium efflux after 10 mins ChEMBL. 23707646
Emax (binding) = 65.1 % Activation of human BKCA alpha/beta1 channel expressed in HEK293 cells assessed as increase of rubidium efflux after 10 mins relative to control ChEMBL. 23707646
Emax (binding) = 99.2 % Activation of human BKCA alpha channel expressed in HEK293 cells assessed as increase of rubidium efflux after 10 mins relative to control ChEMBL. 23707646
IC50 (binding) = 4.91 Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone ChEMBL. 19026552
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

2 literature references were collected for this gene.

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