Detailed information for compound 554196

Basic information

Technical information
  • TDR Targets ID: 554196
  • Name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]eth yl]amino]ethyl benzoate hydrochloride
  • MW: 387.824 | Formula: C19H21ClF3NO2
  • H donors: 1 H acceptors: 1 LogP: 5.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1.Cl
  • InChi: 1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
  • InChiKey: NLOALSPYZIIXEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzoic acid 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl ester hydrochloride
  • 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate hydrochloride
  • benfluorex
  • 23602-78-0
  • 23642-66-2
  • 2-(alpha-Methyl-3-(trifluoromethyl)phenylethylamino)ethyl benzoat
  • SPECTRUM1500669
  • EINECS 245-801-8
  • Prestwick_911
  • 2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl benzoate hydrochloride
  • 2-((alpha-Methyl-m-(trifluoromethyl)phenethyl)amino)ethanol benzoate (ester)
  • Balans
  • NCGC00094832-01
  • Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, benzoate (ester), hydrochloride
  • Ethanol, 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)-, benzoate (ester), HCl (8CI)
  • Lipophoral
  • Mediator
  • Mediaxal
  • NCGC00094832-02
  • BENFLUOREX HYDROCHLORIDE

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens jun proto-oncogene 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0424 0.0891
Brugia malayi Pre-SET motif family protein 0.0251 0.8732 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1142 0.5
Onchocerca volvulus 0.0024 0.0424 0.0424
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0424 0.0891
Brugia malayi Cytochrome P450 family protein 0.0015 0.0097 0.0111
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1142 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1057 0.1211
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Echinococcus multilocularis jun protein 0.0101 0.3257 0.685
Leishmania major hypothetical protein, conserved 0.0043 0.1142 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.025 0.0526
Loa Loa (eye worm) hypothetical protein 0.0024 0.0424 0.0485
Schistosoma mansoni hypothetical protein 0.0041 0.1057 0.2223
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.3257 0.685
Mycobacterium ulcerans hypothetical protein 0.0043 0.1142 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Schistosoma mansoni hypothetical protein 0.0024 0.0424 0.0891
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1142 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0871 0.1831
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.025 0.0286
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.025 0.0526
Loa Loa (eye worm) hypothetical protein 0.0036 0.0871 0.0997
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4819 0.5519
Loa Loa (eye worm) hypothetical protein 0.0099 0.3156 0.3614
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0424 0.0891
Schistosoma mansoni hypothetical protein 0.0082 0.2564 0.5391
Schistosoma mansoni loxhd1 0.0024 0.0424 0.0891
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9698 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4755 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0871 0.0997
Loa Loa (eye worm) hypothetical protein 0.006 0.1753 0.2007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1142 0.2402
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0097 0.0111
Brugia malayi hypothetical protein 0.0024 0.0424 0.0485
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0424 0.0891
Brugia malayi bZIP transcription factor family protein 0.0101 0.3257 0.3731
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1753 0.2007
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0871 0.1831
Brugia malayi MH2 domain containing protein 0.0144 0.4819 0.5519
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0097 0.0111
Toxoplasma gondii ABC1 family protein 0.0043 0.1142 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0871 0.1831
Brugia malayi beta-lactamase 0.0043 0.1142 0.1308
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1142 1
Onchocerca volvulus 0.0043 0.1142 0.1142
Schistosoma mansoni lipoxygenase 0.0142 0.4755 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.025 0.0286
Brugia malayi Doublecortin family protein 0.0024 0.0424 0.0485
Loa Loa (eye worm) hypothetical protein 0.0041 0.1057 0.1211
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4755 1
Schistosoma mansoni lipoxygenase 0.01 0.319 0.6709
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8732 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1142 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0871 0.1831
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1142 0.2402
Onchocerca volvulus 0.0024 0.0424 0.0424
Mycobacterium leprae Probable lipase LipE 0.0043 0.1142 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.025 0.0286
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.3257 0.685
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4819 0.5519
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0871 0.1831
Echinococcus granulosus GPCR family 2 0.0019 0.025 0.0526
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1753 0.2007
Schistosoma mansoni rab6-interacting 0.0024 0.0424 0.0891
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.025 0.0526
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1142 0.1308
Brugia malayi hypothetical protein 0.008 0.2462 0.282
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1753 0.2007
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Loa Loa (eye worm) hypothetical protein 0.0024 0.0424 0.0485
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0424 0.0891
Schistosoma mansoni polycystin 1-related 0.0024 0.0424 0.0891
Echinococcus multilocularis GPCR, family 2 0.0019 0.025 0.0526
Schistosoma mansoni jun-related protein 0.0082 0.2564 0.5391
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0424 0.0891
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Schistosoma mansoni hypothetical protein 0.0019 0.025 0.0526
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.025 0.0526
Plasmodium vivax SET domain protein, putative 0.0036 0.0871 0.6222
Onchocerca volvulus 0.008 0.2462 0.2462
Onchocerca volvulus 0.0043 0.1142 0.1142
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0097 0.0111
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1142 1
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0424 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1142 1
Brugia malayi hypothetical protein 0.0024 0.0424 0.0485
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0871 0.1831
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1142 0.2402
Brugia malayi Cytochrome P450 family protein 0.0015 0.0097 0.0111
Loa Loa (eye worm) hypothetical protein 0.0043 0.1142 0.1308
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0871 0.1831
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0424 0.0485
Brugia malayi beta-lactamase family protein 0.0043 0.1142 0.1308
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1142 0.1308
Loa Loa (eye worm) beta-lactamase 0.0043 0.1142 0.1308
Onchocerca volvulus 0.0043 0.1142 0.1142
Echinococcus granulosus RUN 0.0024 0.0424 0.0891
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0822 0.1729
Brugia malayi beta-lactamase family protein 0.0043 0.1142 0.1308
Onchocerca volvulus 0.0036 0.0871 0.0871
Mycobacterium ulcerans lipase LipD 0.0043 0.1142 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1142 0.2402
Schistosoma mansoni rab6-interacting 0.0024 0.0424 0.0891
Schistosoma mansoni hypothetical protein 0.0019 0.025 0.0526
Mycobacterium ulcerans beta-lactamase 0.0043 0.1142 1
Echinococcus granulosus jun protein 0.0101 0.3257 0.685
Echinococcus multilocularis RUN 0.0024 0.0424 0.0891
Schistosoma mansoni hypothetical protein 0.0019 0.025 0.0526
Brugia malayi Latrophilin receptor protein 2 0.0019 0.025 0.0286
Schistosoma mansoni hypothetical protein 0.0019 0.025 0.0526

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 87.7122958 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 93.54073169 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Potency (functional) 0.1995 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 5.3538 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) 5.6234 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) 7.4972 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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) 21.13 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6011 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8325 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8325 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.4915 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] 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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