Detailed information for compound 1431043

Basic information

Technical information
  • TDR Targets ID: 1431043
  • Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyr azol-4-yl)-3-[2-(2-methylphenoxy)-4-oxopyrido [1,2-a]pyrimidin-3-yl]prop-2-enamide
  • MW: 532.549 | Formula: C30H24N6O4
  • H donors: 1 H acceptors: 4 LogP: 4.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#C/C(=C\c1c(Oc2ccccc2C)nc2n(c1=O)cccc2)/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C30H24N6O4/c1-19-11-7-8-14-24(19)40-28-23(29(38)35-16-10-9-15-25(35)32-28)17-21(18-31)27(37)33-26-20(2)34(3)36(30(26)39)22-12-5-4-6-13-22/h4-17H,1-3H3,(H,33,37)/b21-17+
  • InChiKey: UFLLEZGSAKADRF-HEHNFIMWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(2-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(2-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(2-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(2-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-[4-keto-2-(2-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • 2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-[4-keto-2-(2-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • (E)-2-Cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-oxo-2-o-tolyloxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-acrylamide
  • MLS000580386
  • SMR000220623

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric 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_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Onchocerca volvulus 0.0055 0.0444 0.2964
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.012 0.1499 0.3557
Entamoeba histolytica hypothetical protein 0.0064 0.0596 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.012 0.1499 0.3557
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0055 0.0444 0.0444
Trypanosoma brucei cytochrome P450, putative 0.0209 0.2968 1
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0209 0.2968 0.5054
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.012 0.1499 0.1499
Schistosoma mansoni neurotransmitter gated ion channel 0.0064 0.0596 0.3727
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0055 0.0444 0.1054
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.012 0.1499 0.1499
Brugia malayi hypothetical protein 0.0055 0.0444 0.0444
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0294 0.4358 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0596 0.0596
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.012 0.1499 0.3557
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.012 0.1499 0.3557
Echinococcus granulosus glycine receptor subunit beta 0.012 0.1499 0.3557
Schistosoma mansoni intermediate filament proteins 0.0033 0.0074 0.0464
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0444 0.0444
Schistosoma mansoni cytochrome P450 0.01 0.1174 0.7342
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Onchocerca volvulus 0.012 0.1499 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Schistosoma mansoni lamin 0.0033 0.0074 0.0464
Loa Loa (eye worm) hypothetical protein 0.0032 0.0064 0.0064
Echinococcus granulosus lamin dm0 0.0033 0.0074 0.0176
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0317 0.4723 1
Onchocerca volvulus 0.0058 0.0495 0.3299
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Brugia malayi excitatory GABA receptor EXP-1A 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Loa Loa (eye worm) LGC-31 protein 0.012 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.012 0.1499 0.1499
Echinococcus multilocularis lamin 0.0033 0.0074 0.0176
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Echinococcus multilocularis musashi 0.0033 0.0074 0.0176
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Echinococcus granulosus nAChR subunit 0.012 0.1499 0.3557
Echinococcus granulosus glycine receptor subunit beta 0.012 0.1499 0.3557
Echinococcus multilocularis 0.01 0.1174 0.2786
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0055 0.0444 0.0444
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Echinococcus multilocularis glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Onchocerca volvulus 0.012 0.1499 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0527 0.0527
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.012 0.1499 0.1499
Toxoplasma gondii cytochrome p450 superfamily protein 0.01 0.1174 0.5
Brugia malayi Cation transporter family protein 0.012 0.1499 0.1499
Brugia malayi cytochrome P450 0.01 0.1174 0.1174
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.012 0.1499 0.3557
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.012 0.1499 0.3557
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.012 0.1499 0.3557
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.012 0.1499 0.9374
Schistosoma mansoni acetylcholine receptor-related 0.0055 0.0444 0.2779
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Onchocerca volvulus Putative nachr subunit 0.012 0.1499 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.012 0.1499 0.1499
Schistosoma mansoni acetylcholine receptor subunit beta 0.0055 0.0444 0.2779
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.1599 0.3795
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Echinococcus multilocularis lamin dm0 0.0033 0.0074 0.0176
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0064 0.0596 0.3727
Echinococcus granulosus glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.012 0.1499 0.9374
Loa Loa (eye worm) GABA receptor subunit 0.0064 0.0596 0.0596
Brugia malayi Cytochrome P450 family protein 0.0209 0.2968 0.2968
Brugia malayi hypothetical protein 0.0286 0.4215 0.4215
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Schistosoma mansoni nAChR subunit 0.0055 0.0444 0.2779
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0444 0.0444
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0495 0.0495
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0527 0.0527
Loa Loa (eye worm) cytochrome P450 family protein 0.0359 0.5419 0.5419
Schistosoma mansoni survival motor neuron protein 0.0058 0.0495 0.3092
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Echinococcus granulosus cytochrome P450 2K1 0.01 0.1174 0.2786
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.1599 0.3795
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.012 0.1499 0.3557
Schistosoma mansoni nAChR subunit 0.0055 0.0444 0.2779
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Onchocerca volvulus 0.012 0.1499 1
Echinococcus multilocularis glycine receptor subunit beta 0.012 0.1499 0.3557
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0055 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Echinococcus multilocularis nAChR subunit 0.0064 0.0596 0.1414
Echinococcus granulosus nAChR subunit 0.0064 0.0596 0.1414
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.4215 1
Brugia malayi hypothetical protein 0.0055 0.0444 0.0444
Echinococcus granulosus glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Echinococcus multilocularis glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0055 0.0444 0.1054
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) ACC-1 protein 0.012 0.1499 0.1499
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.012 0.1499 0.3557
Brugia malayi intermediate filament protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.0215
Schistosoma mansoni lamin 0.0033 0.0074 0.0464
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.012 0.1499 0.3557
Onchocerca volvulus 0.0055 0.0444 0.2964
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0074 0.0074
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0064 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.012 0.1499 0.1499
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Brugia malayi Cytochrome P450 family protein 0.0209 0.2968 0.2968
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Schistosoma mansoni hypothetical protein 0.0041 0.0215 0.1343
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0055 0.0444 0.1054
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.0596 0.3727
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Schistosoma mansoni lipoxygenase 0.0126 0.1599 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.012 0.1499 0.9374
Onchocerca volvulus 0.0064 0.0596 0.3976
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.012 0.1499 0.9374
Brugia malayi Cation transporter family protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0584 0.9097 0.9097
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.012 0.1499 0.3557
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.012 0.1499 0.1499
Onchocerca volvulus 0.0064 0.0596 0.3976
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Echinococcus granulosus lamin 0.0033 0.0074 0.0176
Trypanosoma cruzi cytochrome P450, putative 0.0209 0.2968 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0055 0.0444 0.2779
Loa Loa (eye worm) hypothetical protein 0.0639 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1335 0.1335
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Brugia malayi Cation transporter family protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Echinococcus multilocularis glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Brugia malayi Cytochrome P450 family protein 0.0359 0.5419 0.5419
Brugia malayi Cytochrome P450 family protein 0.01 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Schistosoma mansoni hypothetical protein 0.01 0.1174 0.7342
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.012 0.1499 0.9374
Onchocerca volvulus 0.0055 0.0444 0.2964
Onchocerca volvulus 0.012 0.1499 1
Schistosoma mansoni lipoxygenase 0.0088 0.098 0.6128
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.4215 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0209 0.2968 0.2968
Echinococcus granulosus glycine receptor subunit alpha 1 0.012 0.1499 0.3557
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.012 0.1499 0.1499
Leishmania major cytochrome p450-like protein 0.0209 0.2968 1
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Loa Loa (eye worm) hypothetical protein 0.0064 0.0596 0.0596
Echinococcus multilocularis nAChR subunit 0.012 0.1499 0.3557
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0215 0.0215
Loa Loa (eye worm) cytochrome P450 0.01 0.1174 0.1174
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0055 0.0444 0.1054
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0055 0.0444 0.0444
Loa Loa (eye worm) ACC-1 protein 0.012 0.1499 0.1499
Echinococcus granulosus intermediate filament protein 0.0033 0.0074 0.0176
Schistosoma mansoni neurotransmitter gated ion channel 0.0055 0.0444 0.2779
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0317 0.4723 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.012 0.1499 0.1499
Mycobacterium leprae putative cytochrome p450 0.01 0.1174 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.012 0.1499 0.3557
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Onchocerca volvulus 0.012 0.1499 1
Loa Loa (eye worm) CYP4Cod1 0.0209 0.2968 0.2968
Echinococcus multilocularis glycine receptor subunit beta 0.012 0.1499 0.3557
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.006 0.0527 0.0527
Loa Loa (eye worm) acetylcholine receptor protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Schistosoma mansoni hypothetical protein 0.0058 0.0495 0.3092
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0055 0.0444 0.0444
Trypanosoma cruzi cytochrome P450, putative 0.0209 0.2968 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.012 0.1499 0.1499
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.012 0.1499 0.3557
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0064 0.0596 0.0596
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.012 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.012 0.1499 0.9374
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.012 0.1499 0.3557
Onchocerca volvulus 0.012 0.1499 1
Brugia malayi hypothetical protein 0.0055 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0055 0.0444 0.0444
Mycobacterium leprae Conserved hypothetical protein 0.01 0.1174 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.012 0.1499 0.1499
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.012 0.1499 0.3557
Schistosoma mansoni nAChR subunit 0.012 0.1499 0.9374
Loa Loa (eye worm) hypothetical protein 0.012 0.1499 0.1499
Onchocerca volvulus 0.0033 0.0074 0.0495
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0055 0.0444 0.1054
Loa Loa (eye worm) cytochrome P450 family protein 0.0209 0.2968 0.2968
Loa Loa (eye worm) hypothetical protein 0.0286 0.4215 0.4215
Onchocerca volvulus 0.0033 0.0074 0.0495
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 44.6684 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) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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