Detailed information for compound 1376055

Basic information

Technical information
  • TDR Targets ID: 1376055
  • Name: N-(2,5-diethoxyphenyl)-1-(7-methyl-5-oxo-[1,3 ,4]thiadiazolo[4,5-a]pyrimidin-2-yl)piperidin e-4-carboxamide
  • MW: 457.546 | Formula: C22H27N5O4S
  • H donors: 1 H acceptors: 2 LogP: 2.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1NC(=O)C1CCN(CC1)c1nn2c(s1)nc(cc2=O)C)OCC
  • InChi: 1S/C22H27N5O4S/c1-4-30-16-6-7-18(31-5-2)17(13-16)24-20(29)15-8-10-26(11-9-15)22-25-27-19(28)12-14(3)23-21(27)32-22/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,24,29)
  • InChiKey: MHCBZYVWEHBVTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-diethoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[4,5-a]pyrimidin-2-yl)-4-piperidinecarboxamide
  • N-(2,5-diethoxyphenyl)-1-(5-keto-7-methyl-[1,3,4]thiadiazolo[4,5-a]pyrimidin-2-yl)isonipecotamide
  • MLS000863516
  • MLS000093936
  • N-(2,5-diethoxyphenyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
  • SMR000029550

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.013 0.0148 0.6142
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) acetylcholine receptor protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0094 0.0087 0.0085
Leishmania major polypeptide deformylase-like protein, putative 0.2303 0.3773 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.006 0.0031 0.0217
Brugia malayi Cation transporter family protein 0.013 0.0148 1
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0031 0.1923
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Brugia malayi Cation transporter family protein 0.013 0.0148 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2303 0.3773 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0094 0.0087 0.0085
Loa Loa (eye worm) matrixin family protein 0.0109 0.0112 0.7531
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.007 0.0047 0.1892
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Echinococcus granulosus glycine receptor subunit beta 0.013 0.0148 0.6186
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0105 0.0105 0.0102
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0048 0.001 0.0289
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.013 0.0148 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.013 0.0148 0.6186
Onchocerca volvulus 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.007 0.0047 0.3081
Onchocerca volvulus 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.013 0.0148 0.6142
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.006 0.0031 0.192
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.006 0.0031 0.192
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.006 0.0031 0.0217
Loa Loa (eye worm) ACC-1 protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Schistosoma mansoni neurotransmitter gated ion channel 0.006 0.0031 0.1179
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.013 0.0148 0.6142
Mycobacterium ulcerans hydrolase 0.0055 0.0022 0.0019
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.013 0.0148 0.6186
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Trypanosoma brucei Polypeptide deformylase 1 0.2303 0.3773 1
Loa Loa (eye worm) matrixin family protein 0.01 0.0097 0.6494
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.013 0.0148 1
Onchocerca volvulus 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.006 0.0031 0.1278
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.013 0.0148 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2303 0.3773 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.013 0.0148 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.013 0.0148 0.105
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.013 0.0148 1
Entamoeba histolytica hypothetical protein 0.007 0.0047 0.5
Onchocerca volvulus 0.006 0.0031 0.192
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.013 0.0148 1
Trypanosoma brucei Peptide deformylase 2 0.2303 0.3773 1
Onchocerca volvulus 0.007 0.0047 0.3081
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.013 0.0148 0.6186
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.013 0.0148 0.6142
Brugia malayi hypothetical protein 0.006 0.0031 0.192
Onchocerca volvulus 0.013 0.0148 1
Schistosoma mansoni acetylcholine receptor-related 0.006 0.0031 0.1179
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.006 0.0031 0.192
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Schistosoma mansoni nAChR subunit 0.006 0.0031 0.1179
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0094 0.0087 0.0085
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0045 0.0005 0.0112
Echinococcus multilocularis nAChR subunit 0.007 0.0047 0.0337
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.013 0.0148 0.6186
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.013 0.0148 1
Loa Loa (eye worm) GABA receptor subunit 0.007 0.0047 0.3081
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.1923
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0003 0.0019
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.013 0.0148 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0394 0.0391
Mycobacterium ulcerans peptide deformylase 0.6035 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.013 0.0148 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0055 0.0022 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0003 0.5
Brugia malayi Matrixin family protein 0.0045 0.0005 0.0183
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.006 0.0031 0.192
Onchocerca volvulus 0.013 0.0148 1
Onchocerca volvulus 0.0045 0.0005 0.0183
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.013 0.0148 1
Brugia malayi Matrixin family protein 0.0045 0.0005 0.0183
Echinococcus granulosus nAChR subunit 0.007 0.0047 0.1984
Loa Loa (eye worm) LGC-31 protein 0.013 0.0148 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Schistosoma mansoni neurotransmitter gated ion channel 0.007 0.0047 0.1892
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0031 0.1923
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.013 0.0148 0.6186
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Onchocerca volvulus Matrilysin homolog 0.01 0.0097 0.6494
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0094 0.0087 0.0085
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.6035 1 0.5
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.007 0.0047 0.1892
Onchocerca volvulus 0.007 0.0047 0.3081
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.006 0.0031 0.1278
Mycobacterium tuberculosis Probable oxidoreductase 0.0105 0.0105 0.0102
Echinococcus multilocularis glycine receptor subunit alpha 1 0.013 0.0148 0.105
Mycobacterium leprae PROBABLE HYDROLASE 0.0055 0.0022 0.0019
Echinococcus multilocularis glycine receptor subunit alpha 1 0.013 0.0148 0.105
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.013 0.0148 0.105
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0003 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.013 0.0148 0.105
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0164 0.0204 0.8519
Echinococcus multilocularis glycine receptor subunit beta 0.013 0.0148 0.105
Echinococcus granulosus glycine receptor subunit alpha 1 0.013 0.0148 0.6186
Echinococcus granulosus geminin 0.0185 0.0239 1
Brugia malayi Matrixin family protein 0.0045 0.0005 0.0183
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.007 0.0047 0.3081
Schistosoma mansoni neurotransmitter gated ion channel 0.006 0.0031 0.1179
Echinococcus granulosus glycine receptor subunit alpha 1 0.013 0.0148 0.6186
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Plasmodium falciparum peptide deformylase 0.6035 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.007 0.0047 0.3081
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.013 0.0148 0.105
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.013 0.0148 0.6186
Loa Loa (eye worm) hypothetical protein 0.0045 0.0005 0.0183
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0164 0.0204 0.1446
Echinococcus multilocularis geminin 0.0185 0.0239 0.1697
Brugia malayi Matrixin family protein 0.0045 0.0005 0.0183
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.013 0.0148 0.6142
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Trichomonas vaginalis esterase, putative 0.0043 0.0003 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.013 0.0148 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0003 0.5
Schistosoma mansoni acetylcholine receptor subunit beta 0.006 0.0031 0.1179
Onchocerca volvulus Putative nachr subunit 0.013 0.0148 1
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.013 0.0148 0.6186
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Brugia malayi hypothetical protein 0.006 0.0031 0.192
Brugia malayi hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.013 0.0148 0.105
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0003 0.5
Brugia malayi Hemopexin family protein 0.0064 0.0037 0.2348
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0105 0.0105 0.0102
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0094 0.0087 0.0085
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0003 0.5
Brugia malayi Cation transporter family protein 0.013 0.0148 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0105 0.0105 0.0102
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.6035 1 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.6035 1 1
Brugia malayi hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.0055 0.0022 0.1312
Toxoplasma gondii hypothetical protein 0.6035 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.013 0.0148 0.105
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0055 0.0022 0.1312
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Loa Loa (eye worm) hypothetical protein 0.007 0.0047 0.3081
Brugia malayi Matrixin family protein 0.0109 0.0112 0.7531
Mycobacterium tuberculosis Probable dehydrogenase 0.0094 0.0087 0.0085
Trypanosoma cruzi Peptide deformylase 2, putative 0.2303 0.3773 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.013 0.0148 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0886 0.1408 1
Loa Loa (eye worm) matrix metalloproteinase 0.0045 0.0005 0.0183
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.006 0.0031 0.192
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.013 0.0148 1
Plasmodium vivax peptide deformylase, putative 0.6035 1 1
Echinococcus granulosus glycine receptor subunit beta 0.013 0.0148 0.6186
Schistosoma mansoni nAChR subunit 0.013 0.0148 0.6142
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.006 0.0031 0.192
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.013 0.0148 0.105
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0003 0.0113
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0148 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.013 0.0148 0.105
Schistosoma mansoni hypothetical protein 0.0064 0.0037 0.1442
Echinococcus multilocularis nAChR subunit 0.013 0.0148 0.105
Schistosoma mansoni nAChR subunit 0.006 0.0031 0.1179
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.013 0.0148 1
Onchocerca volvulus 0.013 0.0148 1
Loa Loa (eye worm) ACC-1 protein 0.013 0.0148 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.013 0.0148 1
Treponema pallidum polypeptide deformylase (def) 0.6035 1 0.5
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.013 0.0148 0.6186
Schistosoma mansoni hypothetical protein 0.0185 0.0239 1
Onchocerca volvulus 0.0064 0.0037 0.2348
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.013 0.0148 1
Mycobacterium tuberculosis Probable reductase 0.0094 0.0087 0.0085
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0148 1
Brugia malayi hypothetical protein 0.006 0.0031 0.192
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.007 0.0047 0.3081
Trypanosoma cruzi Peptide deformylase 2, putative 0.2303 0.3773 1
Onchocerca volvulus 0.013 0.0148 1
Schistosoma mansoni hypothetical protein 0.0185 0.0239 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.006 0.0031 0.0217
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0031 0.1923
Loa Loa (eye worm) hypothetical protein 0.0045 0.0005 0.0183
Echinococcus granulosus nAChR subunit 0.013 0.0148 0.6186
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.013 0.0148 0.6186
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Echinococcus multilocularis glycine receptor subunit beta 0.013 0.0148 0.105
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Onchocerca volvulus Matrilysin homolog 0.0045 0.0005 0.0183
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Onchocerca volvulus Matrix metalloproteinase homolog 0.01 0.0097 0.6494
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.013 0.0148 0.6142
Onchocerca volvulus 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.006 0.0031 0.192
Loa Loa (eye worm) hypothetical protein 0.0045 0.0005 0.0183

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 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) 13.1154 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) 31.6228 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

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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