Detailed information for compound 1211818

Basic information

Technical information
  • TDR Targets ID: 1211818
  • Name: N-(3-diethylaminopropyl)-2-fluoro-N-[4-(4-met hoxyphenyl)-1,3-thiazol-2-yl]benzamide
  • MW: 441.561 | Formula: C24H28FN3O2S
  • H donors: 0 H acceptors: 2 LogP: 5.17 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCN(C(=O)c1ccccc1F)c1scc(n1)c1ccc(cc1)OC)CC
  • InChi: 1S/C24H28FN3O2S/c1-4-27(5-2)15-8-16-28(23(29)20-9-6-7-10-21(20)25)24-26-22(17-31-24)18-11-13-19(30-3)14-12-18/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3
  • InChiKey: QPQSTQFEFGCFFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-diethylaminopropyl)-2-fluoro-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
  • N-(3-diethylaminopropyl)-2-fluoro-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide
  • ASN 03270336

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0946 0.1518
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0946 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8596 1
Brugia malayi PHD-finger family protein 0.0032 0.058 0.0927
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0946 0.1498
Schistosoma mansoni cpg binding protein 0.0039 0.0792 0.0719
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.1488 0.2356
Brugia malayi beta-lactamase family protein 0.0043 0.0946 0.1518
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.6316 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0946 0.0484
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0167 0.0265
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.1701 0.2734
Mycobacterium ulcerans hypothetical protein 0.0043 0.0946 0.5
Loa Loa (eye worm) TAR-binding protein 0.0127 0.366 0.5892
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4234 0.6816
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0946 0.0484
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0272 0.0431
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0946 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0557 0.5508
Onchocerca volvulus 0.0053 0.1249 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0143 0.0226
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0946 0.0484
Loa Loa (eye worm) hypothetical protein 0.002 0.0167 0.0263
Onchocerca volvulus 0.0035 0.0659 0.1184
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.1488 0.2391
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0946 0.0874
Echinococcus granulosus tar DNA binding protein 0.0127 0.366 0.5795
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0557 0.1397
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.1488 0.2356
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0557 0.3337
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0143 0.0064
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0362 0.3259
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0557 0.1397
Schistosoma mansoni hypothetical protein 0.0065 0.1641 0.1574
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0143 0.0064
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.4095 0.6592
Onchocerca volvulus 0.0043 0.0946 0.5472
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0152 0.0073
Echinococcus multilocularis tar DNA binding protein 0.0127 0.366 0.5795
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.2975 0.4711
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0946 0.0484
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0286 0.0453
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Loa Loa (eye worm) hypothetical protein 0.0055 0.1332 0.214
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.6316 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0946 0.5
Echinococcus granulosus peregrin 0.0035 0.0665 0.1053
Plasmodium falciparum phd finger protein, putative 0.0032 0.058 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.366 0.361
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0824 0.1305
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.366 0.5892
Echinococcus multilocularis peregrin 0.0035 0.0665 0.1053
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0557 0.0881
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0946 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.058 0.0927
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0824 0.1305
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0557 0.0881
Schistosoma mansoni tar DNA-binding protein 0.0127 0.366 0.361
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0405 0.0329
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0557 0.5508
Loa Loa (eye worm) hypothetical protein 0.0045 0.0998 0.1601
Loa Loa (eye worm) MBCTL1 0.006 0.1488 0.2391
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0167 0.0265
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0946 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0992 0.1571
Trichomonas vaginalis esterase, putative 0.0043 0.0946 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0946 0.1518
Leishmania major hypothetical protein, conserved 0.0043 0.0946 1
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.1249 0.1978
Mycobacterium ulcerans lipase LipD 0.0043 0.0946 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1928 0.1864
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0557 0.5508
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0946 0.0484
Echinococcus multilocularis zinc finger protein 0.0024 0.0298 0.0472
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.1641 0.2598
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.1249 0.1978
Brugia malayi MH2 domain containing protein 0.0144 0.4234 0.6816
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.366 0.5892
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0362 0.3259
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.1249 0.1978
Schistosoma mansoni hypothetical protein 0.0032 0.058 0.0504
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.6209 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0143 0.0226
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0557 0.089
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0946 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.1641 0.2598
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0946 0.5
Schistosoma mansoni hypothetical protein 0.014 0.4095 0.4048
Brugia malayi jmjC domain containing protein 0.0043 0.0935 0.15
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.1641 0.2598
Toxoplasma gondii ABC1 family protein 0.0043 0.0946 0.4188
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0405 0.0642
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0557 0.0881
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.058 0.1561
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0992 0.1571
Echinococcus granulosus cpg binding protein 0.0039 0.0792 0.1255
Loa Loa (eye worm) hypothetical protein 0.006 0.1488 0.2391
Toxoplasma gondii histone lysine methyltransferase SET1 0.0068 0.1757 1
Brugia malayi PHD-finger family protein 0.003 0.0491 0.0784
Schistosoma mansoni jumonji domain containing protein 0.0084 0.2267 0.2205
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0946 0.5
Giardia lamblia PHD finger protein 15 0.0032 0.058 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0167 0.0089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.6209 1
Brugia malayi Bromodomain containing protein 0.0035 0.0665 0.1065
Mycobacterium ulcerans beta-lactamase 0.0043 0.0946 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0557 0.0881
Schistosoma mansoni hypothetical protein 0.0065 0.1641 0.1574
Mycobacterium leprae Probable lipase LipE 0.0043 0.0946 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0946 0.0484
Schistosoma mansoni cpg binding protein 0.0039 0.0792 0.0719
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0935 0.0862
Brugia malayi Bromodomain containing protein 0.0042 0.091 0.146
Brugia malayi Latrophilin receptor protein 2 0.0065 0.1641 0.2638
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0946 0.0874
Schistosoma mansoni hypothetical protein 0.0065 0.1641 0.1574
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.058 0.1561
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0362 0.3259
Mycobacterium tuberculosis Conserved protein 0.0043 0.0946 0.0484
Brugia malayi hypothetical protein 0.0017 0.0066 0.0099
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Schistosoma mansoni tar DNA-binding protein 0.0127 0.366 0.361
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0946 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.1488 0.2356
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.058 0.0918
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0557 0.0481
Echinococcus multilocularis cpg binding protein 0.0039 0.0792 0.1255
Onchocerca volvulus 0.0043 0.0946 0.5472
Schistosoma mansoni zinc finger protein 0.0024 0.0298 0.0221
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0659 0.1055
Brugia malayi isocitrate dehydrogenase 0.0032 0.0557 0.089
Schistosoma mansoni bromodomain containing protein 0.0072 0.1877 0.1812
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0946 0.1518
Loa Loa (eye worm) RNA binding protein 0.0127 0.366 0.5892
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.2975 0.4711
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0935 0.0862
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0557 0.895
Brugia malayi mbt repeat family protein 0.0053 0.1249 0.2007
Brugia malayi Bromodomain containing protein 0.0085 0.23 0.37
Onchocerca volvulus 0.0043 0.0946 0.5472
Mycobacterium tuberculosis Conserved protein 0.0043 0.0946 0.0484
Loa Loa (eye worm) hypothetical protein 0.0205 0.6209 1
Schistosoma mansoni hypothetical protein 0.0065 0.1641 0.1574
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.1641 0.2638
Schistosoma mansoni tar DNA-binding protein 0.0127 0.366 0.361
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.1249 0.118
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.058 0.0918
Loa Loa (eye worm) hypothetical protein 0.0049 0.1131 0.1817
Loa Loa (eye worm) hypothetical protein 0.0053 0.1249 0.2007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.6209 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0557 0.5508
Echinococcus granulosus zinc finger protein 0.0024 0.0298 0.0472
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0557 0.0881
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0405 0.0642
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4234 0.6816
Brugia malayi hypothetical protein 0.0026 0.0362 0.0576
Loa Loa (eye worm) hypothetical protein 0.0026 0.0362 0.0576
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.1249 0.2007
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1747 0.2767
Brugia malayi beta-lactamase 0.0043 0.0946 0.1518
Schistosoma mansoni tar DNA-binding protein 0.0127 0.366 0.361
Plasmodium vivax hypothetical protein, conserved 0.0032 0.058 0.3729
Loa Loa (eye worm) hypothetical protein 0.0078 0.2081 0.3347
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.1249 0.118
Loa Loa (eye worm) hypothetical protein 0.0032 0.058 0.0927
Schistosoma mansoni hypothetical protein 0.0023 0.0272 0.0194
Loa Loa (eye worm) hypothetical protein 0.014 0.4095 0.6592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1747 0.2767
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.058 0.0504
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0946 0.0484
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.1249 0.1978
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.1488 0.2356
Schistosoma mansoni cpg binding protein 0.0035 0.0659 0.0584
Echinococcus granulosus GPCR family 2 0.0065 0.1641 0.2598
Echinococcus multilocularis GPCR, family 2 0.0065 0.1641 0.2598
Brugia malayi mbt repeat family protein 0.0053 0.1249 0.2007
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0557 0.5508
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0165 0.0258
Loa Loa (eye worm) hypothetical protein 0.0042 0.0912 0.1464
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.1641 0.2638
Loa Loa (eye worm) hypothetical protein 0.0065 0.1641 0.2638
Mycobacterium tuberculosis Conserved protein 0.0043 0.0946 0.0484
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0946 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0557 0.0881
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0935 0.148
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.1249 0.118
Brugia malayi jmjC domain containing protein 0.0106 0.2975 0.4788
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0946 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0946 0.1518
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0946 0.1498
Brugia malayi TAR-binding protein 0.0127 0.366 0.5892
Leishmania major hypothetical protein, conserved 0.0026 0.0362 0.3259
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0935 0.15
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.1249 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0946 0.1518
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.1488 0.142
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0557 0.089
Brugia malayi CXXC zinc finger family protein 0.0035 0.0659 0.1055
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.1641 0.2598
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0946 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0167 0.0089
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0801 0.1268
Brugia malayi RNA binding protein 0.0127 0.366 0.5892

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 12.5893 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) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 44.6684 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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