Detailed information for compound 210673

Basic information

Technical information
  • TDR Targets ID: 210673
  • Name: (3S)-5-(2,6-dichlorophenoxy)-3-[[(2S)-3-methy l-2-[(2-naphthalen-1-yloxyacetyl)amino]butano yl]amino]-4-oxopentanoic acid
  • MW: 575.437 | Formula: C28H28Cl2N2O7
  • H donors: 3 H acceptors: 5 LogP: 5.44 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)COc1c(Cl)cccc1Cl)CC(=O)O)C(C)C)COc1cccc2c1cccc2
  • InChi: 1S/C28H28Cl2N2O7/c1-16(2)26(32-24(34)15-38-23-12-5-8-17-7-3-4-9-18(17)23)28(37)31-21(13-25(35)36)22(33)14-39-27-19(29)10-6-11-20(27)30/h3-12,16,21,26H,13-15H2,1-2H3,(H,31,37)(H,32,34)(H,35,36)/t21-,26-/m0/s1
  • InChiKey: DXEVARGPFSFJDM-LVXARBLLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-5-(2,6-dichlorophenoxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]-4-oxo-pentanoic acid
  • (3S)-5-(2,6-dichlorophenoxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid
  • (3S)-5-(2,6-dichlorophenoxy)-3-[[(2S)-3-methyl-2-(2-naphthalen-1-yloxyethanoylamino)butanoyl]amino]-4-oxo-pentanoic acid
  • (3S)-5-(2,6-dichlorophenoxy)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthoxy)acetyl]amino]butanoyl]amino]valeric acid
  • (3S)-5-(2,6-dichlorophenoxy)-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)-1-oxoethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid
  • (3S)-5-(2,6-dichlorophenoxy)-4-keto-3-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]valeric acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dro:myosuppressin receptor 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin b 0.0046 0.5864 0.5864
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1716 0.3061
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Leishmania major cysteine peptidase A (CPA) 0.0022 0.1716 0.0788
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0069 1 0.5
Onchocerca volvulus 0.0022 0.1716 0.3061
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0069 1 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0069 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0044 0.5605 0.5605
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Mycobacterium leprae putative cytochrome p450 0.0069 1 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0069 1 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1716 0.1716
Loa Loa (eye worm) ctsf protein 0.0022 0.1716 0.1716
Echinococcus multilocularis cathepsin L 0.0012 0.0002 0.0002
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Onchocerca volvulus 0.0022 0.1716 0.3061
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Schistosoma mansoni amine GPCR 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Echinococcus granulosus fmrfamide receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0069 1 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0044 0.5605 0.5605
Brugia malayi cathepsin B-like cysteine proteinase 0.0046 0.5864 0.5864
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.1716 0.1716
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0044 0.5605 0.5605
Leishmania major cytochrome p450-like protein 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni opsin-like receptor 0.0044 0.5605 0.5605
Brugia malayi Cytochrome P450 family protein 0.0069 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0547 0.3182
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0.5605 0.5605
Echinococcus granulosus orexin receptor type 2 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptide s receptor 0.0044 0.5605 0.5605
Schistosoma mansoni biogenic amine receptor 0.0044 0.5605 0.5605
Brugia malayi larval opioid receptor 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0044 0.5605 0.5605
Schistosoma mansoni alpha-1 adrenergic receptor 0.0044 0.5605 0.5605
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1716 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Brugia malayi Cytochrome P450 family protein 0.0069 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.1716 0.1716
Onchocerca volvulus 0.0022 0.1716 0.3061
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0044 0.5605 0.5605
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptide FF receptor 2 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0022 0.1716 0.1716
Loa Loa (eye worm) cathepsin B 0.0018 0.1008 0.1008
Echinococcus multilocularis allatostatin A receptor 0.0044 0.5605 0.5605
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0044 0.5605 0.5605
Schistosoma mansoni neuropeptide F-like receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis G protein coupled receptor 139 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0015 0.0547 0.0547
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.5605 0.5605
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0069 1 1
Onchocerca volvulus Cathepsin F homolog 0.0022 0.1716 0.3061
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptide receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis g-protein coupled receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0069 1 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0069 1 1
Brugia malayi G protein-coupled receptor 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Brugia malayi neuropeptide F receptor 0.0044 0.5605 0.5605
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.1716 0.1716
Schistosoma mansoni neuropeptide F-like receptor 0.0044 0.5605 0.5605
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0046 0.5864 0.5863
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.1716 0.1716
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0069 1 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0069 1 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0069 1 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.1716 0.1716
Onchocerca volvulus 0.0044 0.5605 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0069 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0022 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Brugia malayi Cathepsin L-like precursor 0.0015 0.0547 0.0547
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis cathepsin b 0.0046 0.5864 0.5864
Brugia malayi putative neuropeptide receptor 0.0044 0.5605 0.5605
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1716 0.1714
Echinococcus granulosus neuropeptides capa receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) G-protein coupled receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.1716 0.1716
Schistosoma mansoni hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni biogenic amine (5HT) receptor 0.0044 0.5605 0.5605
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Echinococcus multilocularis somatostatin receptor 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1716 0.1714
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Brugia malayi putative neuropeptide receptor NPR1 0.0044 0.5605 0.5605
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0044 0.5605 0.5605
Echinococcus granulosus G protein coupled receptor 139 0.0044 0.5605 0.5605
Entamoeba histolytica cysteine protease, putative 0.0022 0.1716 1
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Schistosoma mansoni neuropeptide receptor 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Plasmodium falciparum cysteine proteinase falcipain 3 0.0022 0.1716 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0.5605 0.5605
Schistosoma mansoni histamine h1 receptor 0.0044 0.5605 0.5605
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.5605 0.5605
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Trypanosoma brucei cysteine peptidase C (CPC) 0.0018 0.1008 0.1006
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0.5605 0.5605
Loa Loa (eye worm) cytochrome P450 0.0069 1 1
Schistosoma mansoni amine GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni opsin-like receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis serotonin receptor 0.0044 0.5605 0.5605
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.5864 0.5864
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1716 0.1714
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0044 0.5605 0.5605
Schistosoma mansoni amine GPCR 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0069 1 0.5
Echinococcus granulosus cathepsin l1 0.0022 0.1716 0.1716
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0069 1 0.5
Brugia malayi cathepsin L-like precursor 0.0015 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0.5605 0.5605
Brugia malayi Melatonin receptor type 1A 0.0044 0.5605 0.5605
Trypanosoma brucei cytochrome P450, putative 0.0069 1 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Echinococcus granulosus neuropeptide Y receptor 0.0044 0.5605 0.5605
Echinococcus granulosus somatostatin receptor 0.0044 0.5605 0.5605
Giardia lamblia Cathepsin B precursor 0.0018 0.1008 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0069 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis fmrfamide receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0069 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0069 1 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0069 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0069 1 0.5
Onchocerca volvulus 0.0022 0.1716 0.3061
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0018 0.1008 0.5868
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0002 0.0002
Loa Loa (eye worm) G-protein coupled receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni myosin xvIII 0.0044 0.5605 0.5605
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1716 0.1714
Echinococcus granulosus g protein coupled receptor 0.0044 0.5605 0.5605
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1716 0.3061
Brugia malayi neuropeptide F receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) TYRA-2 protein 0.0044 0.5605 0.5605
Brugia malayi follicle stimulating hormone receptor 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0046 0.5864 0.5864
Onchocerca volvulus 0.0022 0.1716 0.3061
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Schistosoma mansoni biogenic amine receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus peptide allatostatin:somatostatin 0.0044 0.5605 0.5605
Brugia malayi G-protein coupled receptor 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1716 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus allatostatin A receptor 0.0044 0.5605 0.5605
Brugia malayi Dopamine receptor protein 1 0.0044 0.5605 0.5605
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni hypothetical protein 0.0044 0.5605 0.5605
Echinococcus multilocularis serotonin receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0069 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.5605 0.5605
Brugia malayi Dopamine receptor protein 2 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0015 0.0547 0.0547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus multilocularis neuropeptide receptor 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0069 1 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0002 0.0002
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) melatonin receptor type 1A 0.0044 0.5605 0.5605
Echinococcus multilocularis orexin receptor type 2 0.0044 0.5605 0.5605
Echinococcus multilocularis cysteine protease 0.0022 0.1716 0.1716
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Schistosoma mansoni adenoreceptor 0.0044 0.5605 0.5605
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0069 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus granulosus g protein coupled receptor 0.0044 0.5605 0.5605
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0044 0.5605 0.5605
Mycobacterium leprae Conserved hypothetical protein 0.0069 1 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0018 0.1008 0.1008
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0069 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Brugia malayi GnHR receptor homolog 0.0044 0.5605 0.5605
Trypanosoma cruzi cytochrome P450, putative 0.0069 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.5605 0.5605
Leishmania major cytochrome p450-like protein 0.0069 1 1
Echinococcus multilocularis cathepsin b 0.0046 0.5864 0.5864
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0069 1 0.5
Plasmodium vivax vivapain-2 0.0022 0.1716 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.1716 0.1716
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptide Y receptor 0.0044 0.5605 0.5605
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0044 0.5605 0.5605
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0069 1 0.5
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Echinococcus multilocularis cysteine protease 0.0022 0.1716 0.1716
Brugia malayi Papain family cysteine protease containing protein 0.0012 0.0002 0.0002
Echinococcus multilocularis g protein coupled receptor 0.0044 0.5605 0.5605
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0069 1 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.1716 0.1714
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Brugia malayi Tachykinin-like peptides receptor 99D 0.0044 0.5605 0.5605
Echinococcus multilocularis 0.0069 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Onchocerca volvulus 0.0044 0.5605 1
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0018 0.1008 0.1006
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Echinococcus granulosus g-protein coupled receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) CYP4Cod1 0.0069 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0002 0.0002
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Schistosoma mansoni amine GPCR 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0069 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0069 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni neuropeptide f receptor 76f 0.0044 0.5605 0.5605
Plasmodium vivax vivapain-2 0.0022 0.1716 1
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1716 0.1716
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0069 1 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0069 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Echinococcus granulosus neuropeptide receptor A26 0.0044 0.5605 0.5605
Brugia malayi Serotonin receptor 0.0044 0.5605 0.5605
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.1716 0.1716
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0.5605 0.5605
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Toxoplasma gondii cathepsin CPL 0.0022 0.1716 0.0788
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus 7TM GPCR rhodopsin 0.0044 0.5605 0.5605
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Schistosoma mansoni biogenic amine receptor 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0069 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0044 0.5605 1
Schistosoma mansoni opsin-like receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0069 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Echinococcus granulosus cytochrome P450 2K1 0.0069 1 1
Schistosoma mansoni hypothetical protein 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0547 0.0547
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.1716 0.1716
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0044 0.5605 0.5605
Schistosoma mansoni amine GPCR 0.0044 0.5605 0.5605
Leishmania major cathepsin L-like protease 0.0022 0.1716 0.0788
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.5864 0.5864
Onchocerca volvulus 0.0044 0.5605 1
Brugia malayi Serotonin receptor 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin l1 0.0015 0.0547 0.0547
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus multilocularis sex peptide receptor 0.0044 0.5605 0.5605
Echinococcus granulosus cysteine protease 0.0012 0.0002 0.0002
Brugia malayi Cathepsin L-like precursor 0.0022 0.1716 0.1716
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Giardia lamblia Cathepsin B precursor 0.0018 0.1008 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptide receptor 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptides capa receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni neuropeptide receptor 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0069 1 0.5
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0046 0.5864 0.5864
Echinococcus multilocularis neuropeptide s receptor 0.0044 0.5605 0.5605
Toxoplasma gondii cytochrome p450 superfamily protein 0.0069 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0044 0.5605 0.5605
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0069 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin b 0.0046 0.5864 0.5864
Onchocerca volvulus 0.0044 0.5605 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0069 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0547 0.3182
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 1 1
Loa Loa (eye worm) fibroinase 0.0022 0.1716 0.1716
Echinococcus multilocularis neuropeptide receptor A26 0.0044 0.5605 0.5605
Brugia malayi cytochrome P450 0.0069 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Onchocerca volvulus 0.0022 0.1716 0.3061
Onchocerca volvulus 0.0044 0.5605 1
Onchocerca volvulus 0.0044 0.5605 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0069 1 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Echinococcus granulosus cathepsin L 0.0012 0.0002 0.0002
Echinococcus granulosus hypothetical protein 0.0044 0.5605 0.5605
Entamoeba histolytica cysteine proteinase, putative 0.0015 0.0547 0.3182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Echinococcus multilocularis g protein coupled receptor 0.0044 0.5605 0.5605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Loa Loa (eye worm) neuropeptide F receptor 0.0044 0.5605 0.5605
Brugia malayi Cytochrome P450 family protein 0.0069 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Echinococcus granulosus neuropeptide FF receptor 2 0.0044 0.5605 0.5605
Brugia malayi Dopamine receptor 0.0044 0.5605 0.5605
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0069 1 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0044 0.5605 0.5605
Echinococcus granulosus alpha 1A adrenergic receptor 0.0044 0.5605 0.5605
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0022 0.1716 1
Brugia malayi sulfakinin receptor protein 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0069 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Leishmania major cytochrome p450-like protein 0.0069 1 1
Loa Loa (eye worm) cysteine protease 0.0022 0.1716 0.1716
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0044 0.5605 0.5605
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0069 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.5864 0.5864
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1716 1
Loa Loa (eye worm) neuropeptide F receptor 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0015 0.0547 0.0976
Brugia malayi Cathepsin L-like precursor 0.0015 0.0547 0.0547
Brugia malayi hypothetical protein 0.0044 0.5605 0.5605
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0044 0.5605 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0044 0.5605 0.5605
Brugia malayi Cathepsin L-like cysteine proteinase 0.0015 0.0547 0.0547
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0044 0.5605 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0069 1 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0044 0.5605 0.5605
Echinococcus multilocularis G-protein coupled receptor, putative 0.0044 0.5605 0.5605
Echinococcus granulosus cathepsin L cysteine protease 0.0012 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni hypothetical protein 0.0044 0.5605 0.5605
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1716 1
Echinococcus granulosus serotonin receptor 0.0044 0.5605 0.5605
Brugia malayi AKH receptor 0.0044 0.5605 0.5605
Schistosoma mansoni neuropeptide receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 1 1
Brugia malayi ORL1-like opioid receptor 0.0044 0.5605 0.5605
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Schistosoma mansoni hypothetical protein 0.0069 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Schistosoma mansoni biogenic amine (5HT) receptor 0.0044 0.5605 0.5605
Echinococcus granulosus sex peptide receptor 0.0044 0.5605 0.5605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1716 0.1714
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Brugia malayi G-protein coupled receptor 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0015 0.0547 0.0547
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.5605 0.5605
Echinococcus multilocularis fmrfamide receptor 0.0044 0.5605 0.5605
Echinococcus granulosus g protein coupled receptor 0.0044 0.5605 0.5605
Echinococcus granulosus tachykinin peptides receptor 99D 0.0044 0.5605 0.5605
Schistosoma mansoni growth hormone secretagogue receptor 0.0044 0.5605 0.5605
Brugia malayi Papain family cysteine protease containing protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Onchocerca volvulus 0.0022 0.1716 0.3061
Brugia malayi RE15519p 0.0044 0.5605 0.5605
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0044 0.5605 0.5605
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0044 0.5605 0.5605
Brugia malayi G protein-coupled receptor F59B2.13 0.0044 0.5605 0.5605
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0015 0.0547 0.0545
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1716 1
Schistosoma mansoni cytochrome P450 0.0069 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0044 0.5605 0.5605
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.5605 0.5605
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605
Giardia lamblia Cathepsin B precursor 0.0018 0.1008 0.5
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0069 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.5605 0.5605

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.75 uM Cellular assay in a model of neuronal apoptosis involving cortical neurons exposed to concanavalin A ChEMBL. 14505683
IC50 (functional) = 3 uM Cellular assay in a Fas-induced model of apoptosis in Jurkat cells ChEMBL. 14505683
IC50 (functional) = 3 uM Cellular assay in a Fas-induced model of apoptosis in Jurkat cells ChEMBL. 14505683
IC50 (functional) = 15.32 uM Cellular assay in an inflammation model measuring IL-1beta secretion from isolated human monocytes induced with Staph A ChEMBL. 14505683
IC50 (functional) = 15.32 uM Cellular assay in an inflammation model measuring IL-1beta secretion from isolated human monocytes induced with Staph A ChEMBL. 14505683
k3/Ki (binding) = 2713 M-1 s-1 Inhibitory activity against caspase-8 (Csp-8) ChEMBL. 14505683
k3/Ki (binding) = 2713 M-1 s-1 Inhibitory activity against caspase-8 (Csp-8) ChEMBL. 14505683
k3/Ki (binding) = 25259 M-1 s-1 Inhibitory activity against murine caspase-1 ChEMBL. 14505683
k3/Ki (binding) = 25259 M-1 s-1 Inhibitory activity against murine caspase-1 ChEMBL. 14505683
k3/Ki (binding) = 87715 M-1 s-1 Inhibitory activity against caspase-6 (Csp-6) ChEMBL. 14505683
k3/Ki (binding) = 87715 M-1 s-1 Inhibitory activity against caspase-6 (Csp-6) ChEMBL. 14505683
k3/Ki (binding) = 178629 M-1 s-1 Inhibitory activity against caspase-3 (Csp-3) ChEMBL. 14505683
k3/Ki (binding) = 178629 M-1 s-1 Inhibitory activity against caspase-3 (Csp-3) ChEMBL. 14505683

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 14505683

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

1 literature reference was collected for this gene.

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