Detailed information for compound 1454488

Basic information

Technical information
  • TDR Targets ID: 1454488
  • Name: (5E)-1-butyl-5-[1-[(4-fluorophenyl)methylamin o]propylidene]-1,3-diazinane-2,4,6-trione
  • MW: 347.384 | Formula: C18H22FN3O3
  • H donors: 2 H acceptors: 3 LogP: 3.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1C(=O)NC(=O)/C(=C(\NCc2ccc(cc2)F)/CC)/C1=O
  • InChi: 1S/C18H22FN3O3/c1-3-5-10-22-17(24)15(16(23)21-18(22)25)14(4-2)20-11-12-6-8-13(19)9-7-12/h6-9,20H,3-5,10-11H2,1-2H3,(H,21,23,25)/b15-14+
  • InChiKey: NSNIWPXDAPEIHL-CCEZHUSRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-1-butyl-5-[1-[(4-fluorophenyl)methylamino]propylidene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-butyl-5-[1-[(4-fluorobenzyl)amino]propylidene]barbituric acid
  • MLS000558468
  • 1-Butyl-5-[1-(4-fluoro-benzylamino)-prop-(E)-ylidene]-pyrimidine-2,4,6-trione
  • STOCK4S-02557
  • SMR000148984

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.028 0.2494 0.2665
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.028 0.2494 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1319 0.5254
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0267 0.2354 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0151 0.111 0.1175
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.028 0.2494 1
Brugia malayi excitatory GABA receptor EXP-1A 0.028 0.2494 0.2665
Echinococcus multilocularis glycine receptor subunit alpha 1 0.028 0.2494 0.248
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.028 0.2494 0.2665
Trypanosoma brucei hypothetical protein, conserved 0.0049 0.0018 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.028 0.2494 0.2665
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.028 0.2494 0.2665
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.028 0.2494 0.2665
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0151 0.111 0.1175
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0915 0.9307 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.028 0.2494 0.248
Echinococcus granulosus glycine receptor subunit alpha 1 0.028 0.2494 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0129 0.0878 0.0861
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0129 0.0878 0.3471
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0 0.5
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Schistosoma mansoni acetylcholine receptor-related 0.0129 0.0878 0.0925
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.028 0.2494 1
Onchocerca volvulus 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0129 0.0878 0.3471
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0267 0.2354 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0129 0.0878 0.0861
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Onchocerca volvulus Putative nachr subunit 0.028 0.2494 0.2665
Echinococcus multilocularis glycine receptor subunit alpha 1 0.028 0.2494 0.248
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0129 0.0878 0.0925
Onchocerca volvulus 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.028 0.2494 0.248
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Onchocerca volvulus 0.0915 0.9307 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.028 0.2494 0.2665
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0126 0.0116
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0129 0.0878 0.0925
Loa Loa (eye worm) ACC-1 protein 0.028 0.2494 0.2665
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.028 0.2494 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0 0.5
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Onchocerca volvulus 0.028 0.2494 0.2665
Brugia malayi hypothetical protein 0.0129 0.0878 0.0925
Brugia malayi hypothetical protein 0.0129 0.0878 0.0925
Echinococcus granulosus glycine receptor subunit alpha 1 0.028 0.2494 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) GABA receptor subunit 0.0151 0.111 0.1175
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.028 0.2494 0.2665
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0049 0.0018 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.028 0.2494 0.248
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.028 0.2494 0.2665
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.028 0.2494 0.2665
Echinococcus granulosus glycine receptor subunit beta 0.028 0.2494 1
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Loa Loa (eye worm) acetylcholine receptor protein 0.0129 0.0878 0.0925
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.028 0.2494 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1372 0.1457
Schistosoma mansoni nAChR subunit 0.0129 0.0878 0.0925
Echinococcus multilocularis glycine receptor subunit beta 0.028 0.2494 0.248
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Schistosoma mansoni neurotransmitter gated ion channel 0.0151 0.111 0.1175
Brugia malayi hypothetical protein 0.0129 0.0878 0.0925
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0915 0.9307 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.453 0.4857
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.028 0.2494 0.2665
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.028 0.2494 0.248
Schistosoma mansoni neurotransmitter gated ion channel 0.0129 0.0878 0.0925
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.028 0.2494 1
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0915 0.9307 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0046 0.5
Brugia malayi hypothetical protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0267 0.2354 0.9433
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Loa Loa (eye worm) LGC-31 protein 0.028 0.2494 0.2665
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Echinococcus multilocularis nAChR subunit 0.0151 0.111 0.1094
Onchocerca volvulus 0.0129 0.0878 0.0925
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0151 0.111 0.1175
Onchocerca volvulus 0.0151 0.111 0.1175
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1372 0.1356
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Brugia malayi hypothetical protein 0.0129 0.0878 0.0925
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.028 0.2494 1
Brugia malayi Cation transporter family protein 0.028 0.2494 0.2665
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.028 0.2494 1
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0049 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0267 0.2354 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.028 0.2494 0.248
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Onchocerca volvulus 0.0915 0.9307 1
Entamoeba histolytica hypothetical protein 0.0151 0.111 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.028 0.2494 0.248
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0915 0.9307 1
Loa Loa (eye worm) hypothetical protein 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0129 0.0878 0.0925
Brugia malayi Cation transporter family protein 0.0915 0.9307 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.028 0.2494 0.2665
Schistosoma mansoni nAChR subunit 0.028 0.2494 0.2665
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0049 0.0018 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Onchocerca volvulus 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Schistosoma mansoni nAChR subunit 0.0129 0.0878 0.0925
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Echinococcus granulosus nAChR subunit 0.0151 0.111 0.441
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0151 0.111 0.1175
Schistosoma mansoni neurotransmitter gated ion channel 0.0129 0.0878 0.0925
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.028 0.2494 0.248
Onchocerca volvulus 0.0151 0.111 0.1175
Echinococcus granulosus glycine receptor subunit beta 0.028 0.2494 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0129 0.0878 0.0861
Echinococcus granulosus nAChR subunit 0.028 0.2494 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.028 0.2494 0.2665
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0151 0.111 0.1175
Brugia malayi Cytochrome P450 family protein 0.0059 0.0126 0.0116
Schistosoma mansoni acetylcholine receptor subunit beta 0.0129 0.0878 0.0925
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0046 0.0112
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0267 0.2354 0.234
Onchocerca volvulus 0.028 0.2494 0.2665
Loa Loa (eye worm) acetyltransferase 0.0175 0.1372 0.1457
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925
Echinococcus multilocularis glycine receptor subunit alpha 1 0.028 0.2494 0.248
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0151 0.111 0.1175
Loa Loa (eye worm) hypothetical protein 0.0786 0.7923 0.851
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0469 0.453 0.4857
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0046 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.028 0.2494 0.2665
Echinococcus multilocularis glycine receptor subunit beta 0.028 0.2494 0.248
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.028 0.2494 0.2665
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0129 0.0878 0.0925
Echinococcus granulosus glycine receptor subunit alpha 1 0.028 0.2494 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0049 0.0018 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1372 0.1457
Loa Loa (eye worm) ACC-1 protein 0.028 0.2494 0.2665
Brugia malayi Cation transporter family protein 0.028 0.2494 0.2665
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0046 0.5
Echinococcus multilocularis nAChR subunit 0.028 0.2494 0.248
Onchocerca volvulus 0.0915 0.9307 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.028 0.2494 0.2665
Loa Loa (eye worm) hypothetical protein 0.0151 0.111 0.1175
Loa Loa (eye worm) hypothetical protein 0.0129 0.0878 0.0925

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.548133892 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.079457844 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 8.912509381 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 28.18382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 14.7157 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) 16.3535 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) 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) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) = 35.4813 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

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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