Detailed information for compound 1369749

Basic information

Technical information
  • TDR Targets ID: 1369749
  • Name: (Z)-2-[(4-methylphenyl)amino]-4-oxo-4-phenylb ut-2-enoic acid
  • MW: 281.306 | Formula: C17H15NO3
  • H donors: 2 H acceptors: 3 LogP: 4.04 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N/C(=C\C(=O)c1ccccc1)/C(=O)O
  • InChi: 1S/C17H15NO3/c1-12-7-9-14(10-8-12)18-15(17(20)21)11-16(19)13-5-3-2-4-6-13/h2-11,18H,1H3,(H,20,21)/b15-11-
  • InChiKey: VTHKQWFEISPSGN-PTNGSMBKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-2-[(4-methylphenyl)amino]-4-oxo-4-phenyl-but-2-enoic acid
  • (Z)-4-keto-2-[(4-methylphenyl)amino]-4-phenyl-but-2-enoic acid
  • SMR000275097
  • 4-Oxo-4-phenyl-2-p-tolylamino-but-2-enoic acid
  • BAS 01029556
  • MLS000715118

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA 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
Loa Loa (eye worm) TAR-binding 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
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.003 0.0101
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.082 0.082
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.082 0.082
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0319 0.0319
Echinococcus multilocularis protein dispatched 1 0.0058 0.0372 0.0372
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0248 0.7761
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.003 0.0948
Schistosoma mansoni protein kinase 0.1362 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0257 0.0257
Echinococcus multilocularis protein patched 0.0051 0.0319 0.0319
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.082 0.082
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.003 0.0948
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0319 1
Echinococcus multilocularis expressed conserved protein 0.0112 0.0767 0.0767
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0248 1
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0248 0.0248
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0257 0.0257
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0248 0.0248
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0257 0.0257
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0248 0.7761
Onchocerca volvulus 0.0012 0.003 0.2186
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.003 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.003 0.0948
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7172 0.7172
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.003 0.1222
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0507 0.0507
Echinococcus multilocularis nibrin 0.0012 0.003 0.003
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0138 0.6416
Schistosoma mansoni topbp1 0.0012 0.003 0.003
Brugia malayi hypothetical protein 0.0012 0.003 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.003 0.0948
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0248 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0248 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0248 0.0829
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0138 0.0138
Brugia malayi CHE-14 protein 0.0051 0.0319 0.0319
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0138 0.5587
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0507 0.0507
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0089 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0081 0.3749
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0319 0.032
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1362 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0507 0.0508
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0138 0.5587
Echinococcus granulosus expressed conserved protein 0.0112 0.0767 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0027 0.0138 0.0139
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.003 0.0948
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0257 0.0257
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0138 0.6416
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0248 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0138 0.5587
Brugia malayi RNA binding protein 0.0076 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0051 0.0319 0.032
Loa Loa (eye worm) hypothetical protein 0.136 0.9985 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1197 0.1197
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.003 0.3405
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0412 0.2986 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0138 0.0138
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.003 0.1221
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0081 0.3749
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0081 0.3749
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.003 0.0948
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1362 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0248 0.302
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0412 0.2986 1
Schistosoma mansoni protein kinase 0.1362 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0081 0.3749
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0138 0.5587
Echinococcus granulosus tar DNA binding protein 0.0076 0.0507 0.0507
Schistosoma mansoni hypothetical protein 0.0049 0.0306 0.0306
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.003 0.0369
Entamoeba histolytica hypothetical protein 0.0012 0.003 0.0369
Loa Loa (eye worm) hypothetical protein 0.0119 0.082 0.0821
Brugia malayi TAR-binding protein 0.0076 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.041 0.2971 0.2975
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.003 0.003
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0216 1
Schistosoma mansoni hypothetical protein 0.0049 0.0306 0.0306
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.003 0.3405
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.003 0.0948
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0138 0.5587
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.082 1
Treponema pallidum DNA ligase (lig) 0.0012 0.003 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0507 0.0507
Echinococcus granulosus nibrin 0.0012 0.003 0.003
Schistosoma mansoni inositol monophosphatase 0.0041 0.0248 0.0248
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0138 0.5587
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0257 0.0258
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.003 0.1221
Loa Loa (eye worm) hypothetical protein 0.0062 0.0404 0.0404
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.003 0.0101
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.003 0.0948
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.003 0.003
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.003 0.0948
Schistosoma mansoni topbp1 0.0012 0.003 0.003
Schistosoma mansoni hypothetical protein 0.019 0.1343 0.1343
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0138 0.1687
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0319 0.0319
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0138 0.5587
Echinococcus granulosus geminin 0.019 0.1343 0.1343
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0027 0.0138 0.0139
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0089 0.3588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0257 0.0257
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0138 0.5587
Echinococcus multilocularis geminin 0.019 0.1343 0.1343
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0027 0.0138 0.0139
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0138 0.6416
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Schistosoma mansoni hypothetical protein 0.019 0.1343 0.1343
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0138 0.5587
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0507 0.0508
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Schistosoma mansoni inositol monophosphatase 0.0041 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.003 0.0101
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0248 0.7761
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0089 0.412
Brugia malayi topoisomerase 0.0012 0.003 0.003
Brugia malayi hypothetical protein 0.0012 0.003 0.003
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.003 0.003
Loa Loa (eye worm) inositol-1 0.0041 0.0248 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0507 0.0507
Giardia lamblia Replication factor C, subunit 1 0.0012 0.003 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0138 0.5587
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0507 0.0507
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0089 1
Schistosoma mansoni hypothetical protein 0.0049 0.0306 0.0306
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0089 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.003 0.1403
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1197 0.1197
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0248 0.0829
Echinococcus granulosus replication factor c subunit 1 0.0012 0.003 0.003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0257 0.0257
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0248 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0257 0.0257
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0319 0.0319
Brugia malayi DKFZp564C0469 protein 0.0012 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Loa Loa (eye worm) RNA binding protein 0.0076 0.0507 0.0508
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.003 0.0948
Mycobacterium ulcerans hypothetical protein 0.0027 0.0138 0.5587
Schistosoma mansoni hypothetical protein 0.0049 0.0306 0.0306
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.003 0.1221
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0138 0.1687
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0412 0.2986 0.299
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0834 0.0834
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0138 0.6416
Onchocerca volvulus 0.0027 0.0138 1
Schistosoma mansoni DNA ligase IV 0.0012 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0012 0.003 0.003
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0216 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0138 0.1687
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.003 0.0101
Schistosoma mansoni patched 1 0.0051 0.0319 0.0319
Brugia malayi Inositol-1 0.0041 0.0248 0.0248

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 8.2753 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) 15.8489 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 25.929 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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