Detailed information for compound 1432410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.767 | Formula: C16H14ClN5O3
  • H donors: 1 H acceptors: 4 LogP: 6.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)n1nc(c([n+]1[O-])Nc1cc(C)cc(c1)C)[N+](=O)[O-]
  • InChi: 1S/C16H14ClN5O3/c1-10-6-11(2)8-13(7-10)18-15-16(22(24)25)19-20(21(15)23)14-5-3-4-12(17)9-14/h3-9,18H,1-2H3
  • InChiKey: KCPZWQWRPZDEDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ataxin 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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi CXXC zinc finger family protein 0.0035 0.0199 0.0247
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0162 0.0137
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0898 0.0898
Brugia malayi hypothetical protein 0.0535 0.6337 0.8474
Brugia malayi jmjC domain containing protein 0.0047 0.0349 0.0448
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0162 0.0202
Schistosoma mansoni hypothetical protein 0.0494 0.5835 0.5835
Mycobacterium leprae Conserved hypothetical protein 0.0628 0.7476 0.5
Mycobacterium tuberculosis Conserved protein 0.0628 0.7476 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0026 0.0026
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0375 0.0349
Mycobacterium ulcerans hypothetical protein 0.0628 0.7476 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1003 0.1324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0162 0.0198
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0712 0.1074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0035 0.0035
Loa Loa (eye worm) glutaminase 0.033 0.3824 0.6013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Onchocerca volvulus 0.0806 0.9659 1
Brugia malayi Muscleblind-like protein 0.018 0.1987 0.2644
Loa Loa (eye worm) hypothetical protein 0.0049 0.0377 0.0543
Onchocerca volvulus 0.0535 0.6337 0.6489
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1188 0.1165
Echinococcus multilocularis muscleblind protein 0.018 0.1987 0.1966
Giardia lamblia Hypothetical protein 0.0628 0.7476 1
Brugia malayi jmjC domain containing protein 0.0115 0.1188 0.1573
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0451 0.0426
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0306 0.0281
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0712 0.0712
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0205 0.0205
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0162 0.0137
Mycobacterium leprae Conserved hypothetical protein 0.0628 0.7476 0.5
Echinococcus multilocularis cpg binding protein 0.0039 0.0251 0.0226
Mycobacterium tuberculosis Hypothetical protein 0.0628 0.7476 0.5
Mycobacterium ulcerans putative transglutaminase-like protein 0.0628 0.7476 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi Thioredoxin family protein 0.0628 0.7476 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0712 0.0712
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0205 0.125
Brugia malayi F/Y-rich N-terminus family protein 0.0024 0.0073 0.0078
Schistosoma mansoni cpg binding protein 0.0039 0.0251 0.0251
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0205 0.125
Loa Loa (eye worm) hypothetical protein 0.018 0.1987 0.3097
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0682 0.0658
Loa Loa (eye worm) runx1 0.0067 0.0597 0.0891
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0205 0.027
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0035 0.0009
Schistosoma mansoni hypothetical protein 0.0032 0.0162 0.0162
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1188 0.1165
Brugia malayi Bromodomain containing protein 0.0046 0.0341 0.0437
Schistosoma mansoni lozenge 0.0067 0.0597 0.0597
Schistosoma mansoni hypothetical protein 0.0035 0.0205 0.0205
Schistosoma mansoni cpg binding protein 0.0035 0.0199 0.0199
Loa Loa (eye worm) glutaminase 2 0.033 0.3824 0.6013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0451 0.0426
Loa Loa (eye worm) RNA binding protein 0.0076 0.0712 0.1074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0035 0.0035
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.1799 0.1799
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0676 0.0676
Schistosoma mansoni hypothetical protein 0.0165 0.1799 0.1799
Mycobacterium tuberculosis Long conserved protein 0.0628 0.7476 0.5
Loa Loa (eye worm) hypothetical protein 0.0535 0.6337 1
Brugia malayi hypothetical protein 0.003 0.0147 0.0177
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0712 0.1074
Loa Loa (eye worm) hypothetical protein 0.0535 0.6337 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1003 0.1535
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0682 0.0658
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1003 0.1324
Mycobacterium tuberculosis Conserved hypothetical protein 0.0628 0.7476 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0035 0.0205 0.027
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0712 0.0712
Brugia malayi RNA binding protein 0.0076 0.0712 0.0935
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0712 0.0712
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0712 0.0688
Echinococcus granulosus GPCR family 2 0.0032 0.0162 0.0137
Schistosoma mansoni hypothetical protein 0.0032 0.0162 0.0162
Echinococcus multilocularis Transglutaminase 0.0628 0.7476 0.7469
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0035 0.0009
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0147 1
Schistosoma mansoni zinc finger protein 0.0026 0.0088 0.0088
Echinococcus multilocularis muscleblind protein 1 0.018 0.1987 0.1966
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0451 0.0426
Schistosoma mansoni hypothetical protein 0.0032 0.0162 0.0162
Echinococcus granulosus peregrin 0.0038 0.024 0.0215
Echinococcus granulosus tar DNA binding protein 0.0076 0.0712 0.0688
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0615 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1003 0.1535
Mycobacterium tuberculosis Conserved hypothetical protein 0.0628 0.7476 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0306 0.0281
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0296 0.0271
Echinococcus granulosus Transglutaminase 0.0628 0.7476 0.7469
Loa Loa (eye worm) hypothetical protein 0.0085 0.0821 0.1248
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0132 0.0106
Schistosoma mansoni cpg binding protein 0.0039 0.0251 0.0251
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0451 0.0585
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0349 0.0498
Echinococcus multilocularis zinc finger protein 0.0026 0.0088 0.0062
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0614 0.0803
Echinococcus multilocularis geminin 0.0165 0.1799 0.1778
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0147 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0665 0.1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0162 0.0202
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0162 0.0198
Echinococcus multilocularis Protein lozenge 0.0067 0.0597 0.0572
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0147 1
Echinococcus multilocularis peregrin 0.0038 0.024 0.0215
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0375 0.0349
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.002 0.002
Echinococcus granulosus muscleblind protein 0.018 0.1987 0.1966
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0205 1
Brugia malayi Bromodomain containing protein 0.0093 0.0909 0.1199
Trichomonas vaginalis peptide N-glycanase, putative 0.0628 0.7476 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0162 0.0137
Brugia malayi Bromodomain containing protein 0.0038 0.024 0.0303
Schistosoma mansoni glutaminase 0.033 0.3824 0.3824
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0712 0.0712
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0132 0.0106
Loa Loa (eye worm) hypothetical protein 0.0068 0.0614 0.0918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0053 0.043 0.0626
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0349 0.0349
Mycobacterium ulcerans hypothetical protein 0.0628 0.7476 1
Brugia malayi TAR-binding protein 0.0076 0.0712 0.0935
Plasmodium falciparum phd finger protein, putative 0.0035 0.0205 1
Brugia malayi glutaminase DH11.1 0.033 0.3824 0.5106
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0349 0.0349
Giardia lamblia Transglutaminase/protease, putative 0.0628 0.7476 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5835 0.5824
Loa Loa (eye worm) hypothetical protein 0.0046 0.0342 0.0487
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0162 0.0137
Schistosoma mansoni hypothetical protein 0.0068 0.0614 0.0614
Echinococcus granulosus zinc finger protein 0.0026 0.0088 0.0062
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0712 0.0935
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0199 0.026
Loa Loa (eye worm) hypothetical protein 0.003 0.0147 0.0177
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0079 0.007
Brugia malayi PHD-finger family protein 0.0032 0.0167 0.0204
Loa Loa (eye worm) hypothetical protein 0.018 0.1987 0.3097
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0205 0.018
Leishmania major hypothetical protein, conserved 0.003 0.0147 1
Schistosoma mansoni bromodomain containing protein 0.0078 0.0735 0.0735
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0451 0.066
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0132 0.0132
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5835 0.5824
Loa Loa (eye worm) hypothetical protein 0.006 0.0514 0.076
Brugia malayi PHD-finger family protein 0.0035 0.0205 0.0256
Schistosoma mansoni hypothetical protein 0.0628 0.7476 0.7476
Schistosoma mansoni hypothetical protein 0.0032 0.0162 0.0162
Echinococcus granulosus cpg binding protein 0.0039 0.0251 0.0226
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0205 0.018
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0026 0.0026
Echinococcus multilocularis GPCR, family 2 0.0032 0.0162 0.0137
Mycobacterium ulcerans transglutaminase family protein 0.0628 0.7476 1
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.0349 0.0324
Echinococcus granulosus geminin 0.0165 0.1799 0.1778
Onchocerca volvulus Alhambra homolog 0.0035 0.0205 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0451 0.0426

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2563 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 14.1254 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 (binding) = 14.1254 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 (binding) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 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) 112.2018 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Giardia lamblia
Plasmodium falciparum ChEMBL23

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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