Detailed information for compound 67028

Basic information

Technical information
  • TDR Targets ID: 67028
  • Name: tert-butyl N-[(E,2S,3S,5R)-5-[[(2S)-1-[[(2S)- 1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-me thyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1, 8-diphenyloct-7-en-2-yl]carbamate
  • MW: 698.891 | Formula: C41H54N4O6
  • H donors: 5 H acceptors: 5 LogP: 6.58 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)O)C/C=C/c1ccccc1)C
  • InChi: 1S/C41H54N4O6/c1-28(2)24-35(39(49)43-34(37(42)47)26-31-20-13-8-14-21-31)44-38(48)32(23-15-22-29-16-9-6-10-17-29)27-36(46)33(25-30-18-11-7-12-19-30)45-40(50)51-41(3,4)5/h6-22,28,32-36,46H,23-27H2,1-5H3,(H2,42,47)(H,43,49)(H,44,48)(H,45,50)/b22-15+/t32-,33+,34+,35+,36+/m1/s1
  • InChiKey: INMQYOIMKNCOOR-KXUOSNPDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl N-[(E,1S,2S,4R)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl]carbamate
  • N-[(E,1S,2S,4R)-4-[[[(1S)-1-[[[(1S)-2-amino-1-benzyl-2-oxoethyl]amino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-1-benzyl-2-hydroxy-7-phenylhept-6-enyl]carbamic acid tert-butyl ester
  • tert-butyl N-[(E,2S,3S,5R)-5-[[(2S)-1-[[(2S)-1-azanyl-1-oxo-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyl-oct-7-en-2-yl]carbamate
  • N-[(E,1S,2S,4R)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl]carbamic acid tert-butyl ester
  • tert-butyl N-[(E,2S,3S,5R)-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-di(phenyl)oct-7-en-2-yl]carbamate
  • tert-butyl N-[(E,1S,2S,4R)-4-[[(1S)-1-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-7-phenyl-1-(phenylmethyl)hept-6-enyl]carbamate
  • N-[(E,1S,2S,4R)-4-[[[(1S)-1-[[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-2-hydroxy-7-phenyl-1-(phenylmethyl)hept-6-enyl]carbamic acid tert-butyl ester
  • N-[(E,1S,2S,4R)-4-[[(1S)-1-[[(1S)-2-amino-1-(benzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-1-(benzyl)-2-hydroxy-7-phenyl-hept-6-enyl]carbamic acid tert-butyl ester
  • tert-butyl N-[(E,2S,3S,5R)-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]-3-hydroxy-1,8-di(phenyl)oct-7-en-2-yl]carbamate
  • 132619-58-0
  • (5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-yl)hexanoyl)-L-leucyl-L-phenylalaninamide
  • L-Phenylalaninamide, N-(5-(((1,1-dimethylethoxy)carbonyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(3-phenyl-2-propenyl)hexyl)-L-leucyl-, (2R-(2R*(E),4S*,5S*))-
  • Hydroxyethylene deriv. 4
  • AIDS-002832
  • AIDS002832
  • Boc-PPE-Leu-Phe-NH2
  • L-Phenylalaninamide, N-[5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(3-phenyl-2-propenyl)hexyl]-L-leucyl-, [2R-[2R*(E),4S*,5S*]]-
  • [5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-yl)hexanoyl]-L-leucyl-L-phenylalaninamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) Get druggable targets OG5_131408 All targets in OG5_131408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Giardia lamblia DNA-directed RNA polymerase subunit D Human immunodeficiency virus type 1 protease   99 aa 90 aa 27.8 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0385 0.0647 0.0647
Schistosoma mansoni coup transcription factor 0.0385 0.0647 0.2179
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.0076 0.0076
Onchocerca volvulus 0.0385 0.0647 0.0423
Brugia malayi Nuclear hormone receptor E75 0.0182 0.0234 0.0234
Loa Loa (eye worm) acetyltransferase 0.0146 0.0163 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0385 0.0647 0.0647
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0385 0.0647 0.0647
Brugia malayi nuclear hormone receptor 0.0182 0.0234 0.0234
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.0163 0.0548
Schistosoma mansoni RAR-like nuclear receptor 0.0385 0.0647 0.2179
Schistosoma mansoni nuclear hormone receptor 0.0182 0.0234 0.0789
Loa Loa (eye worm) hypothetical protein 0.0203 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0297 0.0469 0.0469
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Echinococcus granulosus FTZ F1 alpha 0.0385 0.0647 0.2325
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0385 0.0647 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0385 0.0647 0.0647
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0385 0.0647 0.2179
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0385 0.0647 0.2179
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0385 0.0647 0.2795
Echinococcus multilocularis FTZ F1 alpha 0.0385 0.0647 0.2795
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0203 0.0278 0.0938
Echinococcus multilocularis geminin 0.0164 0.0199 0.0603
Brugia malayi Protein kinase domain containing protein 0.0104 0.0076 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0385 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.4992 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0385 0.0647 0.0647
Loa Loa (eye worm) DR-78 0.0182 0.0234 0.0234
Schistosoma mansoni zinc finger protein 0.0182 0.0234 0.0789
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0385 0.0647 0.2795
Brugia malayi Nuclear hormone receptor-like 1 0.0385 0.0647 0.0647
Schistosoma mansoni nuclear hormone receptor 0.0182 0.0234 0.0789
Echinococcus granulosus thyroid hormone receptor alpha 0.0182 0.0234 0.0644
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0203 0.0278 0.0938
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.0331 0.1249
Schistosoma mansoni nuclear hormone receptor 0.0385 0.0647 0.2179
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.0076 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0182 0.0234 0.0644
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0182 0.0234 0.0644
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.0429 0.1447
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Schistosoma mansoni nuclear receptor 0.0182 0.0234 0.0789
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Echinococcus multilocularis ecdysone induced protein 78C 0.0385 0.0647 0.2795
Loa Loa (eye worm) hypothetical protein 0.0203 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0103 0.0075 0.0075
Entamoeba histolytica hypothetical protein 0.0104 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Brugia malayi Nuclear hormone receptor-like 1 0.0203 0.0278 0.0278
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0385 0.0647 0.2325
Echinococcus granulosus Nuclear hormone receptor HR96 0.0182 0.0234 0.0644
Brugia malayi hypothetical protein 0.0182 0.0234 0.0234
Echinococcus granulosus ecdysone induced protein 78C 0.0385 0.0647 0.2325
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.0331 0.1039
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0385 0.0647 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0385 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0097 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0164 0.0199 0.0671
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0203 0.0278 0.0278
Brugia malayi ecdysone receptor 0.0182 0.0234 0.0234
Brugia malayi hypothetical protein 0.0203 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0385 0.0647 0.0647
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0182 0.0234 0.0774
Brugia malayi hypothetical protein 0.0203 0.0278 0.0278
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0297 0.0469 0.158
Onchocerca volvulus Protein ultraspiracle homolog 0.0385 0.0647 0.0423
Brugia malayi nuclear hormone receptor 0.0385 0.0647 0.0647
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0385 0.0647 0.2179
Schistosoma mansoni retinoic acid receptor RXR 0.1313 0.2531 0.853
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0385 0.0647 0.2795
Brugia malayi Nuclear hormone receptor-like 1 0.0203 0.0278 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0385 0.0647 0.0647
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0203 0.0278 0.099
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0385 0.0647 0.0647
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0182 0.0234 0.0789
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.0163 0.0163
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.0163 0.0424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0385 0.0647 0.0647
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0182 0.0234 0.0644
Brugia malayi hypothetical protein 0.0229 0.0331 0.0331
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0385 0.0647 0.2325
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1313 0.2531 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0385 0.0647 0.2179
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0385 0.0647 0.2325
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0182 0.0234 0.0789
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.0154 0.0319
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0385 0.0647 0.0647
Schistosoma mansoni thyroid hormone receptor 0.0385 0.0647 0.2179
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0385 0.0647 0.0647
Brugia malayi nuclear hormone receptor family member odr-7 0.0182 0.0234 0.0234
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0182 0.0234 0.0234
Echinococcus granulosus nuclear receptor nhr 48 0.0182 0.0234 0.0644
Schistosoma mansoni nuclear receptor nhr-48 0.0182 0.0234 0.0789
Brugia malayi nuclear receptor NHR-88 0.0385 0.0647 0.0647
Brugia malayi orphan nuclear receptor NR2E1 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0229 0.0331 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0385 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0203 0.0278 0.0278
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0076 0.0256
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0062 0.0062
Brugia malayi steroid hormone receptor 0.0385 0.0647 0.0647
Brugia malayi hypothetical protein 0.0142 0.0154 0.0154
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.0076 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0385 0.0647 0.2795
Loa Loa (eye worm) hypothetical protein 0.0103 0.0075 0.0075
Brugia malayi nuclear receptor NHR-88 0.0182 0.0234 0.0234
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1528 0.2967 1
Brugia malayi nuclear receptor RXR 0.0203 0.0278 0.0278
Echinococcus multilocularis nuclear receptor nhr 48 0.0182 0.0234 0.0774
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0385 0.0647 0.2795
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0076 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0182 0.0234 0.0774
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0297 0.0469 0.1601
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Schistosoma mansoni thyroid hormone receptor 0.0385 0.0647 0.2179
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0385 0.0647 0.2179
Loa Loa (eye worm) hypothetical protein 0.0142 0.0154 0.0154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0385 0.0647 0.2325
Loa Loa (eye worm) hypothetical protein 0.0203 0.0278 0.0278
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.111 0.2118 1
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0297 0.0469 0.1924
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0385 0.0647 0.0647
Brugia malayi photoreceptor-specific nuclear receptor 0.0385 0.0647 0.0647
Schistosoma mansoni hypothetical protein 0.0164 0.0199 0.0671
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0385 0.0647 0.2179
Entamoeba histolytica protein kinase, putative 0.0104 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0203 0.0278 0.0278
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0182 0.0234 0.0774
Loa Loa (eye worm) steroid hormone receptor 0.0385 0.0647 0.0647
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0076 0.5
Echinococcus granulosus geminin 0.0164 0.0199 0.0502
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0385 0.0647 0.2179
Brugia malayi hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor 0.0182 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0385 0.0647 0.0647
Brugia malayi nuclear receptor NHR-67 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0142 0.0154 0.0154
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0385 0.0647 0.2325
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Echinococcus multilocularis thyroid hormone receptor alpha 0.0385 0.0647 0.2795
Brugia malayi tailless protein 0.0182 0.0234 0.0234
Brugia malayi conserved hypotetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0385 0.0647 0.2325
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Schistosoma mansoni nuclear receptor 0.0182 0.0234 0.0789
Onchocerca volvulus Bile acid receptor homolog 0.4992 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0385 0.0647 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0385 0.0647 0.0647
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0203 0.0278 0.0824
Loa Loa (eye worm) hypothetical protein 0.0385 0.0647 0.0647
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0062 0.0062
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0182 0.0234 0.0774
Loa Loa (eye worm) hypothetical protein 0.0182 0.0234 0.0234
Entamoeba histolytica protein kinase, putative 0.0104 0.0076 0.5
Loa Loa (eye worm) nuclear receptor NHR-67 0.0182 0.0234 0.0234
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0182 0.0234 0.0234
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0385 0.0647 0.0423
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0385 0.0647 0.2795
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0385 0.0647 0.0647
Brugia malayi Nuclear hormone receptor E75 0.0182 0.0234 0.0234
Brugia malayi nuclear receptor RXR 0.0182 0.0234 0.0234
Brugia malayi nuclear hormone receptor family member nhr-6 0.0182 0.0234 0.0234

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.15 nM Inhibition of HIV-1 protease ChEMBL. 2002465
IC50 (binding) = 0.23 nM Inhibition of HIV-1 protease ChEMBL. 1588552
IC50 (binding) = 0.23 nM Inhibition of HIV-1 protease ChEMBL. 1588552
MIC (functional) = 6 uM Minimum inhibitory concentration of the compound required to prevent HIV infection was determined in H9 human T-lymphoid cell culture ChEMBL. 2002465
MIC100 (functional) = 6000 nM Ex vivo antiviral activity in H9 T-lymphoid cells infected with HIV-1(IIIB). ChEMBL. 1588552

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.
 
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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