Detailed information for compound 816981

Basic information

Technical information
  • TDR Targets ID: 816981
  • Name: N-naphthalen-2-yl-2-[2-oxo-2-(phenylmethylami no)ethyl]sulfanylacetamide
  • MW: 364.461 | Formula: C21H20N2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccccc1)CSCC(=O)Nc1ccc2c(c1)cccc2
  • InChi: 1S/C21H20N2O2S/c24-20(22-13-16-6-2-1-3-7-16)14-26-15-21(25)23-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,24)(H,23,25)
  • InChiKey: LLOIYKCRRGYMMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-naphthyl)-2-[2-oxo-2-(phenylmethylamino)ethyl]sulfanyl-acetamide
  • N-(2-naphthyl)-2-[[2-oxo-2-(phenylmethylamino)ethyl]thio]acetamide
  • 2-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(2-naphthyl)acetamide
  • N-naphthalen-2-yl-2-[2-oxo-2-(phenylmethylamino)ethyl]sulfanyl-ethanamide
  • 5925-36-0
  • BIM-0008506.P001
  • 2-(Benzylcarbamoyl-methylsulfanyl)-N-naphthalen-2-yl-acetamide
  • 2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(2-naphthyl)acetamide
  • MLS000544156
  • SMR000163247
  • ZINC03067975
  • CBMicro_008391
  • A2659/0113378
  • EU-0086169

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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 0.0154 0.0552 0.1123
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0148 0.0519 0.0482
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0065 0.0039 0.0148
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Leishmania major hypothetical protein, conserved 0.0212 0.0887 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.0519 0.1109
Echinococcus multilocularis voltage dependent calcium channel 0.0112 0.031 0.1179
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Echinococcus multilocularis voltage dependent calcium channel 0.0112 0.031 0.1179
Onchocerca volvulus 0.0148 0.0519 0.105
Echinococcus granulosus glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Onchocerca volvulus 0.0154 0.0552 0.1123
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Onchocerca volvulus 0.0154 0.0552 0.1123
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Loa Loa (eye worm) ACC-1 protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0855 0.4609 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0065 0.0039 0.0148
Loa Loa (eye worm) DOMON domain-containing protein 0.0177 0.0686 0.1473
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Echinococcus granulosus glycine receptor subunit beta 0.0065 0.0039 0.0148
Onchocerca volvulus 0.0177 0.0686 0.1417
Loa Loa (eye worm) hypothetical protein 0.0212 0.0887 0.1908
Loa Loa (eye worm) hypothetical protein 0.0148 0.0519 0.1109
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0065 0.0039 0.0065
Brugia malayi hypothetical protein 0.0148 0.0519 0.1109
Brugia malayi Muscle positioning protein 4 0.0177 0.0686 0.1473
Echinococcus multilocularis nAChR subunit 0.0065 0.0039 0.0148
Onchocerca volvulus 0.0154 0.0552 0.1123
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0112 0.031 0.1179
Loa Loa (eye worm) trypsin family protein 0.0148 0.0519 0.1109
Echinococcus granulosus enteropeptidase 0.0148 0.0519 0.1974
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0065 0.0039 0.0065
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0076 0.0099 0.5
Toxoplasma gondii PAN domain-containing protein 0.178 0.9959 1
Mycobacterium ulcerans hypothetical protein 0.0148 0.0519 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0112 0.031 0.1179
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0513 0.2628 0.5694
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0065 0.0039 0.0065
Loa Loa (eye worm) ACC-1 protein 0.0065 0.0039 0.0065
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0177 0.0682 0.0646
Echinococcus granulosus tissue type plasminogen activator 0.0212 0.0887 0.3373
Brugia malayi Cation transporter family protein 0.0205 0.0849 0.1826
Brugia malayi excitatory GABA receptor EXP-1A 0.0065 0.0039 0.0065
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.0887 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Brugia malayi Cation transporter family protein 0.0065 0.0039 0.0065
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0112 0.031 0.1179
Echinococcus granulosus glycine receptor subunit beta 0.0065 0.0039 0.0148
Brugia malayi Kringle domain containing protein 0.0212 0.0887 0.1908
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Onchocerca volvulus 0.0148 0.0519 0.105
Onchocerca volvulus 0.0177 0.0686 0.1417
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Loa Loa (eye worm) hypothetical protein 0.0112 0.031 0.0654
Loa Loa (eye worm) hypothetical protein 0.0513 0.2628 0.5694
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0065 0.0039 0.0148
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0065 0.0039 0.0065
Onchocerca volvulus 0.0148 0.0519 0.105
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0148 0.0519 0.0482
Onchocerca volvulus 0.0154 0.0552 0.1123
Loa Loa (eye worm) LGC-31 protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Brugia malayi Trypsin family protein 0.0148 0.0519 0.1109
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Echinococcus multilocularis potassium voltage gated channel protein 0.0513 0.2628 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1268 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0148 0.0519 0.1109
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Brugia malayi Trypsin family protein 0.0855 0.4609 1
Onchocerca volvulus 0.0154 0.0552 0.1123
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0065 0.0039 0.0065
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0148 0.0519 0.1974
Echinococcus granulosus glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Brugia malayi CUB domain containing protein 0.0061 0.0011 0.0004
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0065 0.0039 0.0065
Brugia malayi Trypsin family protein 0.0148 0.0519 0.1109
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0148 0.0519 0.0482
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0065 0.0039 0.0065
Echinococcus granulosus potassium voltage gated channel protein 0.0513 0.2628 1
Onchocerca volvulus 0.0707 0.3751 0.8122
Onchocerca volvulus 0.0212 0.0887 0.1855
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0065 0.0039 0.0148
Echinococcus granulosus glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0061 0.0011 0.0004
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0491 0.2499 0.9509
Onchocerca volvulus 0.0148 0.0519 0.105
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0205 0.0849 0.0813
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0205 0.0849 0.1826
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0065 0.0039 0.0148
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0212 0.0887 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0065 0.0039 0.0148
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0148 0.0519 0.1109
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0148 0.0519 0.0482
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0148 0.0519 0.0482
Brugia malayi Trypsin family protein 0.0148 0.0519 0.1109
Schistosoma mansoni hypothetical protein 0.0177 0.0686 0.065
Echinococcus granulosus nAChR subunit 0.0065 0.0039 0.0148
Onchocerca volvulus 0.0154 0.0552 0.1123
Loa Loa (eye worm) hypothetical protein 0.0061 0.0011 0.0004
Schistosoma mansoni hypothetical protein 0.0212 0.0887 0.0851
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Schistosoma mansoni hypothetical protein 0.0148 0.0519 0.0482
Schistosoma mansoni voltage-gated potassium channel 0.0513 0.2628 0.2599
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0112 0.031 0.0272
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0065 0.0039 0.0148
Echinococcus multilocularis glycine receptor subunit beta 0.0065 0.0039 0.0148
Onchocerca volvulus 0.0205 0.0849 0.1772
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Brugia malayi Trypsin-like protease protein 5 0.0148 0.0519 0.1109
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0148 0.0519 0.1974
Loa Loa (eye worm) hypothetical protein 0.0177 0.0686 0.1473
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0065 0.0039 0.0065
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0148 0.0519 0.1109
Echinococcus granulosus voltage dependent calcium channel 0.0112 0.031 0.1179
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0148 0.0519 0.1974
Onchocerca volvulus 0.0205 0.0849 0.1772
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Plasmodium falciparum cysteine repeat modular protein 1 0.0212 0.0887 0.5
Echinococcus granulosus glycoprotein Antigen 5 0.0148 0.0519 0.1974
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0065 0.0039 0.0065
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0065 0.0039 0.0148
Echinococcus granulosus Mastin 0.0148 0.0519 0.1974
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Schistosoma mansoni serine-type protease inhibitor 0.1787 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0205 0.0849 0.0813
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Onchocerca volvulus 0.0177 0.0686 0.1417
Schistosoma mansoni voltage-gated potassium channel 0.0513 0.2628 0.2599
Schistosoma mansoni hypothetical protein 0.0148 0.0519 0.0482
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0148 0.0519 0.1109
Loa Loa (eye worm) PAN domain-containing protein 0.0154 0.0552 0.1181
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) TK/ROR protein kinase 0.0212 0.0887 0.1908
Onchocerca volvulus 0.0154 0.0552 0.1123
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0916 0.496 0.494
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Onchocerca volvulus 0.0154 0.0552 0.1123
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0065 0.0039 0.0065
Loa Loa (eye worm) PAN domain-containing protein 0.0154 0.0552 0.1181
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0112 0.031 0.1179
Loa Loa (eye worm) hypothetical protein 0.0177 0.0686 0.1473
Echinococcus granulosus transmembrane protease serine 3 0.0148 0.0519 0.1974
Brugia malayi Cation transporter family protein 0.0065 0.0039 0.0065
Onchocerca volvulus 0.0177 0.0686 0.1417
Onchocerca volvulus 0.0148 0.0519 0.105
Onchocerca volvulus 0.0205 0.0849 0.1772
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0065 0.0039 0.0148
Loa Loa (eye worm) PAN domain-containing protein 0.0154 0.0552 0.1181
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0112 0.031 0.0654
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0065 0.0039 0.0148
Echinococcus multilocularis enteropeptidase 0.0148 0.0519 0.1974
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0065 0.0039 0.0065
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Loa Loa (eye worm) hypothetical protein 0.0205 0.0849 0.1826
Echinococcus multilocularis Mastin 0.0148 0.0519 0.1974
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Onchocerca volvulus 0.0154 0.0552 0.1123
Loa Loa (eye worm) hypothetical protein 0.0855 0.4609 1
Onchocerca volvulus 0.0154 0.0552 0.1123
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Toxoplasma gondii PAN domain-containing protein 0.178 0.9959 1
Loa Loa (eye worm) PAN domain-containing protein 0.0154 0.0552 0.1181
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0112 0.031 0.1179
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0855 0.4609 0.4588
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0112 0.031 0.1179
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0065 0.0039 0.0065
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0112 0.031 0.1179
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0065 0.0039 0.0065
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0513 0.2628 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Echinococcus multilocularis tissue type plasminogen activator 0.0212 0.0887 0.3373
Brugia malayi SEA domain containing protein 0.0177 0.0686 0.1473
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0112 0.031 0.0272
Echinococcus multilocularis glycine receptor subunit beta 0.0065 0.0039 0.0148
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0065 0.0039 0.0148
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Brugia malayi PAN domain containing protein 0.0154 0.0552 0.1181
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0065 0.0039 0.0065
Schistosoma mansoni voltage-gated cation channel 0.0112 0.031 0.0272
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0148 0.0519 0.1974
Onchocerca volvulus 0.0855 0.4609 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0065 0.0039 0.0065
Echinococcus multilocularis transmembrane protease serine 3 0.0148 0.0519 0.1974
Brugia malayi Protein kinase domain containing protein 0.0212 0.0887 0.1908
Loa Loa (eye worm) hypothetical protein 0.018 0.0701 0.1504
Loa Loa (eye worm) hypothetical protein 0.0154 0.0552 0.1181
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0065 0.0039 0.0148
Loa Loa (eye worm) PAN domain-containing protein 0.0154 0.0552 0.1181
Toxoplasma gondii kringle domain-containing protein 0.0212 0.0887 0.0355
Loa Loa (eye worm) calcium channel 0.0112 0.031 0.0654
Echinococcus multilocularis glycoprotein Antigen 5 0.0148 0.0519 0.1974
Schistosoma mansoni cercarial elastase (S01 family) 0.0148 0.0519 0.0482
Onchocerca volvulus 0.0177 0.0686 0.1417
Loa Loa (eye worm) hypothetical protein 0.0065 0.0039 0.0065

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 6.3 % Inhibition of recombinant His-tagged SIRT3 (unknown origin) using Fluor de Lys acetylated KI179 as substrate at 200 uM incubated for 5 mins followed by enzyme addition measured after 1 hr by fluorescence assay relative to control ChEMBL. 23562596
Potency (functional) 0.0465 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) 0.5221 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) = 1.122 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) 2.5119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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

1 literature reference was collected for this gene.

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