Detailed information for compound 1236635

Basic information

Technical information
  • TDR Targets ID: 1236635
  • Name: N-(2-chloro-5-nitrophenyl)-2-[4-(2-hydroxyphe nyl)piperazin-1-yl]propanamide
  • MW: 404.847 | Formula: C19H21ClN4O4
  • H donors: 2 H acceptors: 4 LogP: 3.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-])N1CCN(CC1)c1ccccc1O
  • InChi: 1S/C19H21ClN4O4/c1-13(19(26)21-16-12-14(24(27)28)6-7-15(16)20)22-8-10-23(11-9-22)17-4-2-3-5-18(17)25/h2-7,12-13,25H,8-11H2,1H3,(H,21,26)
  • InChiKey: KIRYUFFBMRZPFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chloro-5-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
  • N-(2-chloro-5-nitrophenyl)-2-[4-(2-hydroxyphenyl)-1-piperazinyl]propanamide
  • N-(2-chloro-5-nitro-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propionamide
  • SMR000243936
  • T5289950
  • MLS000707745

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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) hypothetical protein 0.0107 0.0177 0.0177
Trypanosoma cruzi cdc2-related kinase 3 0.0626 0.21 0.5399
Echinococcus granulosus cyclin dependent kinase 0.0626 0.21 0.5557
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0313 0.0313
Echinococcus granulosus cyclin A3 4 0.0107 0.0177 0.0343
Echinococcus multilocularis cyclin 0.0107 0.0177 0.0343
Onchocerca volvulus 0.0107 0.0177 0.0473
Brugia malayi cell division control protein 2 homolog 0.0626 0.21 0.2098
Trichomonas vaginalis cyclins, putative 0.073 0.2486 0.6484
Schistosoma mansoni cyclin B3 0.0445 0.1429 0.1429
Echinococcus granulosus cyclin B 0.1068 0.3739 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2868 0.764
Loa Loa (eye worm) hypothetical protein 0.0623 0.2088 0.2088
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0508 0.1241
Entamoeba histolytica cyclin family protein 0.0445 0.1429 0.3516
Brugia malayi Cyclin C 0.0107 0.0177 0.0175
Echinococcus multilocularis cyclin B3 1 0.0445 0.1429 0.3739
Echinococcus granulosus cyclin 0.0107 0.0177 0.0343
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.005 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0626 0.21 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.1068 0.3739 0.3739
Echinococcus multilocularis cyclin dependent kinase 0.0626 0.21 0.5557
Echinococcus multilocularis cyclin dependent kinase 1 0.0626 0.21 0.5557
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0626 0.21 0.21
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.005 0.5
Trichomonas vaginalis cyclin D, putative 0.0445 0.1429 0.3516
Trypanosoma brucei cdc2-related kinase 1 0.0626 0.21 0.5399
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0107 0.0177 0.0343
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0445 0.1429 0.3739
Echinococcus granulosus cyclins 0.0445 0.1429 0.3739
Brugia malayi hypothetical protein 0.0107 0.0177 0.0175
Echinococcus granulosus cyclins 0.0445 0.1429 0.3739
Trichomonas vaginalis CMGC family protein kinase 0.0626 0.21 0.5399
Echinococcus granulosus cyclins 0.0445 0.1429 0.3739
Echinococcus granulosus cyclins 0.0445 0.1429 0.3739
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2868 0.764
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Plasmodium falciparum cyclin 0.0445 0.1429 0.6513
Onchocerca volvulus Cyclin L homolog 0.0107 0.0177 0.0473
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2868 0.2868
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0107 0.0177 0.0343
Loa Loa (eye worm) hypothetical protein 0.0612 0.2047 0.2047
Echinococcus multilocularis cyclin A3 4 0.0107 0.0177 0.0343
Trichomonas vaginalis cyclins, putative 0.1068 0.3739 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Trichomonas vaginalis cyclins, putative 0.1068 0.3739 1
Echinococcus granulosus cyclin G2 0.0107 0.0177 0.0343
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0626 0.21 0.5557
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Trichomonas vaginalis cyclin B, putative 0.0445 0.1429 0.3516
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0508 0.0508
Trypanosoma cruzi cdc2-related kinase 1 0.0626 0.21 0.5399
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0445 0.1429 0.3739
Echinococcus granulosus cyclin B3 1 0.0445 0.1429 0.3739
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0107 0.0177 0.0617
Schistosoma mansoni g1/s-specific cyclin C 0.0107 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.006 0.0002 0.0002
Leishmania major mitotic cyclin, putative 0.0107 0.0177 0.0343
Trypanosoma brucei mitotic cyclin 6 0.1068 0.3739 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Giardia lamblia Kinase, CMGC CDK 0.0626 0.21 0.5399
Echinococcus granulosus cyclins 0.0107 0.0177 0.0343
Trypanosoma cruzi cdc2-related kinase 1 0.0626 0.21 0.5399
Schistosoma mansoni cyclin k 0.0107 0.0177 0.0177
Echinococcus multilocularis Cyclin L1 0.0107 0.0177 0.0343
Schistosoma mansoni cyclin G2 0.0107 0.0177 0.0177
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Trichomonas vaginalis cyclin B, putative 0.1068 0.3739 1
Trichomonas vaginalis CMGC family protein kinase 0.0626 0.21 0.5399
Schistosoma mansoni serine/threonine protein kinase 0.0626 0.21 0.21
Echinococcus multilocularis cyclin t1 0.0107 0.0177 0.0343
Echinococcus granulosus cyclin t1 0.0107 0.0177 0.0343
Onchocerca volvulus 0.0114 0.02 0.0536
Trichomonas vaginalis cyclin B, putative 0.1068 0.3739 1
Toxoplasma gondii hypothetical protein 0.0338 0.1031 0.4784
Schistosoma mansoni hypothetical protein 0.0107 0.0177 0.0177
Schistosoma mansoni cyclin d 0.0107 0.0177 0.0177
Onchocerca volvulus Protein CNPPD1 homolog 0.0107 0.0177 0.0473
Schistosoma mansoni cyclin B 0.1068 0.3739 0.3739
Leishmania major mitotic cyclin, putative 0.0107 0.0177 0.0343
Trichomonas vaginalis cyclin A, putative 0.1068 0.3739 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0445 0.1429 0.1429
Trichomonas vaginalis cyclin B3, putative 0.0445 0.1429 0.3516
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.005 0.5
Toxoplasma gondii cyclin dependent kinase binding protein 0.0107 0.0177 0.0617
Schistosoma mansoni serine/threonine protein kinase 0.2757 1 1
Loa Loa (eye worm) hypothetical protein 0.1068 0.3739 0.3739
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.2757 1 1
Trypanosoma cruzi cyclin, putative 0.1068 0.3739 1
Loa Loa (eye worm) cyclin C 0.0107 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0107 0.0177 0.0177
Schistosoma mansoni cyclin l 0.0107 0.0177 0.0177
Giardia lamblia Hypothetical protein 0.0445 0.1429 0.3516
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Entamoeba histolytica cell division protein kinase 2, putative 0.0626 0.21 0.5399
Plasmodium vivax protein kinase Crk2 0.0626 0.21 1
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0107 0.0177 0.0343
Echinococcus multilocularis cyclin b3 0.0445 0.1429 0.3739
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0626 0.21 0.5557
Echinococcus granulosus tumor protein p63 0.0408 0.1291 0.3365
Echinococcus multilocularis cyclin dependent kinase 5 0.0626 0.21 0.5557
Echinococcus granulosus cyclin dependent kinase 1 0.0626 0.21 0.5557
Echinococcus multilocularis cyclin B 0.1068 0.3739 1
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0107 0.0177 0.0617
Schistosoma mansoni cyclin G 0.0107 0.0177 0.0177
Leishmania major cyclin 9, putative 0.0107 0.0177 0.0343
Onchocerca volvulus 0.1068 0.3739 1
Trypanosoma cruzi cyclin, putative 0.1068 0.3739 1
Plasmodium falciparum protein kinase 5 0.0626 0.21 1
Echinococcus multilocularis cyclin y 0.0107 0.0177 0.0343
Brugia malayi hypothetical protein 0.0107 0.0177 0.0175
Brugia malayi Cyclin, N-terminal domain containing protein 0.1068 0.3739 0.3737
Echinococcus granulosus cyclin b3 0.0445 0.1429 0.3739
Echinococcus multilocularis cyclin y 0.0107 0.0177 0.0343
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0313 0.0313
Leishmania major cyclin 0.1068 0.3739 1
Echinococcus granulosus cyclin dependent kinase 5 0.0626 0.21 0.5557
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Schistosoma mansoni alpha-glucosidase 0.0169 0.0406 0.0406
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0626 0.21 0.21
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0508 0.1241
Entamoeba histolytica cyclin, putative 0.1068 0.3739 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Trichomonas vaginalis cyclin D, putative 0.0445 0.1429 0.3516
Brugia malayi MH2 domain containing protein 0.0144 0.0313 0.0311
Brugia malayi Cyclin, N-terminal domain containing protein 0.0445 0.1429 0.1428
Echinococcus multilocularis cyclin G2 0.0107 0.0177 0.0343
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0508 0.0506
Loa Loa (eye worm) CYL-1 protein 0.0107 0.0177 0.0177
Echinococcus granulosus Cyclin L1 0.0107 0.0177 0.0343
Echinococcus granulosus cyclin y 0.0107 0.0177 0.0343
Echinococcus granulosus cyclin y 0.0107 0.0177 0.0343
Schistosoma mansoni cyclins 0.0445 0.1429 0.1429
Giardia lamblia G2/mitotic-specific cyclin B 0.1068 0.3739 1
Trichomonas vaginalis cyclins, putative 0.0445 0.1429 0.3516
Trichomonas vaginalis cyclin B, putative 0.1068 0.3739 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.005 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0107 0.0177 0.0177
Echinococcus granulosus G1:S specific cyclin D1 0.0107 0.0177 0.0343
Entamoeba histolytica cell division protein kinase 2, putative 0.0626 0.21 0.5399
Echinococcus multilocularis cyclin k 0.0107 0.0177 0.0343
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Brugia malayi Protein kinase domain containing protein 0.0626 0.21 0.2098
Trypanosoma cruzi cyclin 6, putative 0.1068 0.3739 1
Echinococcus multilocularis tumor protein p63 0.0408 0.1291 0.3365
Entamoeba histolytica cyclin family protein 0.0445 0.1429 0.3516
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3409 0.9107
Schistosoma mansoni Cyclin fold protein 0.0107 0.0177 0.0177
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Trichomonas vaginalis conserved hypothetical protein 0.0445 0.1429 0.3516
Echinococcus granulosus cyclins 0.0445 0.1429 0.3739
Giardia lamblia Kinase, CMGC CDK 0.0626 0.21 0.5399
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0626 0.21 0.21
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0107 0.0177 0.0177
Entamoeba histolytica cyclin, putative 0.0445 0.1429 0.3516
Schistosoma mansoni alpha-glucosidase 0.0169 0.0406 0.0406
Toxoplasma gondii cyclin 4, putative 0.0107 0.0177 0.0617
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0508 0.1241
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0626 0.21 0.5557
Trichomonas vaginalis cyclins, putative 0.1068 0.3739 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.005 0.005
Trichomonas vaginalis CMGC family protein kinase 0.0626 0.21 0.5399
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0107 0.0177 0.0343
Brugia malayi cyclin fold protein 1 variant b 0.0107 0.0177 0.0175
Trypanosoma cruzi cdc2-related kinase 3 0.0626 0.21 0.5399
Trichomonas vaginalis cyclin B, putative 0.1068 0.3739 1
Echinococcus granulosus cyclin k 0.0107 0.0177 0.0343
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.005 0.005
Echinococcus granulosus cyclin G2 0.0107 0.0177 0.0343
Echinococcus multilocularis cyclins 0.0445 0.1429 0.3739
Trypanosoma cruzi CYC2-like cyclin, putative 0.1068 0.3739 1
Giardia lamblia Cyclin A 0.0445 0.1429 0.3516
Onchocerca volvulus Cyclin L homolog 0.0107 0.0177 0.0473
Trichomonas vaginalis cyclins, putative 0.1068 0.3739 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0107 0.0177 0.0175
Echinococcus multilocularis cyclin G2 0.0107 0.0177 0.0343
Trypanosoma brucei cdc2-related kinase 3 0.0626 0.21 0.5399
Schistosoma mansoni hypothetical protein 0.0107 0.0177 0.0177
Loa Loa (eye worm) cyclin domain-containing protein 0.0107 0.0177 0.0177
Brugia malayi Cyclin, N-terminal domain containing protein 0.1068 0.3739 0.3737
Echinococcus multilocularis G1:S specific cyclin D1 0.0107 0.0177 0.0343
Echinococcus multilocularis cyclin dependent kinase 1 0.0626 0.21 0.5557
Toxoplasma gondii hypothetical protein 0.0107 0.0177 0.0617
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.1068 0.3739 1
Schistosoma mansoni serine/threonine protein kinase 0.0626 0.21 0.21

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 5.2213 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) 6.5733 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 19.9526 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) 23.1093 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) 25.929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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