Detailed information for compound 1205375

Basic information

Technical information
  • TDR Targets ID: 1205375
  • Name: 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl] methylsulfanyl]-4-(3-methylphenyl)-5-(phenylm ethyl)-1,2,4-triazole
  • MW: 469.558 | Formula: C26H23N5O2S
  • H donors: 0 H acceptors: 4 LogP: 5.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1noc(n1)CSc1nnc(n1c1cccc(c1)C)Cc1ccccc1
  • InChi: 1S/C26H23N5O2S/c1-18-7-6-10-21(15-18)31-23(16-19-8-4-3-5-9-19)28-29-26(31)34-17-24-27-25(30-33-24)20-11-13-22(32-2)14-12-20/h3-15H,16-17H2,1-2H3
  • InChiKey: RYLMHLDCUKZUSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole
  • 3-(benzyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-(3-methylphenyl)-1,2,4-triazole
  • D065-0099
  • NCGC00115541-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 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
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA binding protein 0.0063 0.05 0.1991
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0573 0.2255
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0073 0.0073
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.031 0.031
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0073 0.0073
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.023 0.0301
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0073 0.0073
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.034 0.034
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.023 0.4598
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.034 0.034
Echinococcus granulosus geminin 0.0199 0.1866 0.1866
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0073 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0833
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0833
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0073 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0128 0.0474
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0073 0.0096
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0088 0.1765
Loa Loa (eye worm) fibroinase 0.0017 0.0026 0.0104
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0 0.5
Loa Loa (eye worm) cysteine protease 0.0017 0.0026 0.0104
Schistosoma mansoni hypothetical protein 0.0048 0.034 0.0446
Loa Loa (eye worm) hypothetical protein 0.0031 0.0172 0.0685
Echinococcus multilocularis tumor protein p63 0.1003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0073 0.0292
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0088 1
Leishmania major cathepsin L-like protease 0.0017 0.0026 0.0521
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0073 0.0073
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0073 0.0096
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.031 0.1235
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0073 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.031 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0833
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0049 0.0353 0.0463
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0073 0.0292
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0151 0.7784
Brugia malayi Cytochrome P450 family protein 0.0023 0.0088 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0073 0.0096
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0337 0.0442
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.1691 0.6727
Onchocerca volvulus 0.0049 0.0353 0.2079
Schistosoma mansoni hypothetical protein 0.0048 0.034 0.0446
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0073 0.0073
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0289 0.1119
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.023 0.0882
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0073 0.0073
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.034 0.034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Loa Loa (eye worm) hypothetical protein 0.0103 0.09 0.3587
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0213 0.0213
Giardia lamblia GTOR 0.0045 0.031 1
Echinococcus multilocularis neuropeptide s receptor 0.046 0.4514 0.4514
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0128 0.0474
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0073 0.0096
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0213 0.0848
Schistosoma mansoni hypothetical protein 0.0266 0.2547 0.3341
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0045 0.0909
Schistosoma mansoni thyroid hormone receptor 0.0287 0.2763 0.3624
Schistosoma mansoni hypothetical protein 0.0199 0.1866 0.2447
Schistosoma mansoni tar DNA-binding protein 0.0063 0.05 0.0656
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.023 0.4598
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0 0.5
Brugia malayi hypothetical protein 0.024 0.2286 0.9109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0125 0.0464
Loa Loa (eye worm) hypothetical protein 0.004 0.0259 0.103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0337 0.0442
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.023 0.7177
Echinococcus granulosus microtubule associated protein 2 0.0768 0.7624 0.7624
Echinococcus multilocularis cysteine protease 0.0017 0.0026 0.0026
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.023 0.0916
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0026 0.0104
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.023 0.023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.05 0.1991
Leishmania major cathepsin L-like protease 0.0063 0.05 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0 0.5
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.023 0.4958
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0073 0.0292
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.023 0.023
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.023 0.023
Brugia malayi jmjC domain containing protein 0.0035 0.0213 0.0848
Brugia malayi Latrophilin receptor protein 2 0.0048 0.034 0.1355
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0199 0.1866 0.2447
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0073 0.0096
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0026 0.0104
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.05 1
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0573 0.2283
Brugia malayi nuclear hormone receptor 0.0021 0.0073 0.0292
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.05 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0337 0.1342
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0026 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0073 0.0292
Leishmania major cathepsin L-like protease 0.0017 0.0026 0.0521
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.05 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0088 0.0352
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0151 0.0151
Echinococcus multilocularis GPCR, family 2 0.0048 0.034 0.034
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0337 0.0442
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Onchocerca volvulus 0.0021 0.0073 0.0301
Loa Loa (eye worm) ctsf protein 0.0017 0.0026 0.0104
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.1084 0.4317
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0073 0.0073
Echinococcus multilocularis geminin 0.0199 0.1866 0.1866
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0337 0.1342
Mycobacterium leprae putative cytochrome p450 0.0014 0 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0026 0.0034
Echinococcus granulosus cathepsin l1 0.0017 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0073 0.0292
Leishmania major phosphatidylinositol 3-kinase, putative 0.0015 0.0009 0.0184
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0088 0.0352
Echinococcus multilocularis microtubule associated protein 2 0.0768 0.7624 0.7624
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0151 1
Schistosoma mansoni chromobox protein 0.0071 0.0573 0.0752
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.1383 0.5511
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0.0009 0.0184
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0073 0.0292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.05 0.0656
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0073 0.0292
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Brugia malayi Cytochrome P450 family protein 0.0052 0.0384 0.1531
Echinococcus granulosus tar DNA binding protein 0.0063 0.05 0.05
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0289 0.1673
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0529
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.1598 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.05 0.0656
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0073 0.0073
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.031 0.0407
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Brugia malayi steroid hormone receptor 0.0021 0.0073 0.0292
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.023 0.4598
Echinococcus multilocularis chromobox protein 1 0.0071 0.0573 0.0573
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0026 0.0026
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0071 0.143
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0073 0.0292
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0009 0.0184
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.023 0.0301
Brugia malayi TAR-binding protein 0.0063 0.05 0.1991
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.031 0.1203
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0009 0.0184
Loa Loa (eye worm) hypothetical protein 0.0037 0.023 0.0916
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0073 0.0292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0151 0.0151
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.023 0.023
Mycobacterium leprae Conserved hypothetical protein 0.0014 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.031 0.1203
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0218 0.4357
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0262 0.251 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0464 0.1847
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0088 0.1765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.031 0.6202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0073 0.0292
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.023 0.023
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.031 0.6202
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.1084 0.4317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0151 0.0568
Leishmania major cathepsin L-like protease 0.0017 0.0026 0.0521
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.046 0.4514 0.4514
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 0.251 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0819 0.0819
Brugia malayi nuclear receptor NHR-88 0.0021 0.0073 0.0292
Echinococcus multilocularis thyroid hormone receptor alpha 0.0287 0.2763 0.2763
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.05 0.1991
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0833
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0151 0.7784
Brugia malayi Heterochromatin protein 1 0.0071 0.0573 0.2283
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0259 0.0997
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0073 0.0301
Echinococcus multilocularis cysteine protease 0.0017 0.0026 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0063 0.05 0.0656
Onchocerca volvulus Alhambra homolog 0.0029 0.0151 0.0795
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0147 0.1342 0.5347
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0026 0.0067
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0073 0.0073
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0026 0.0104
Schistosoma mansoni hypothetical protein 0.0103 0.09 0.1181
Brugia malayi PHD-finger family protein 0.0029 0.0151 0.0602
Toxoplasma gondii cathepsin CPL 0.0017 0.0026 0.1343
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0073 0.0292
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.2286 0.2286
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.023 0.0882
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Echinococcus granulosus chromobox protein 1 0.0071 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0602
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0009 0.0009
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0088 0.1765
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.031 0.031
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.031 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.031 0.1235
Schistosoma mansoni hypothetical protein 0.0048 0.034 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0102 0.037
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0009 0.0037
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0026 0.0026
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0073 0.0096
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0369
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0444 0.8885
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0073 0.0073
Loa Loa (eye worm) TAR-binding protein 0.0063 0.05 0.1991
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0026 0.0026
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0369
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0073 0.0096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0337 0.0337
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0015 0.0009 0.0184
Schistosoma mansoni hypothetical protein 0.0048 0.034 0.0446
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0026 0.0026
Echinococcus granulosus GPCR family 2 0.0048 0.034 0.034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0369
Brugia malayi MH2 domain containing protein 0.0121 0.1084 0.4317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0073 0.0292
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0218 0.4357
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0259 0.0997
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0125 0.0464
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.1691 0.6727
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0213 0.0213
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0213 0.0279
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0073 0.0292
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.023 0.0882
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0819 0.0819
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0151 0.0198
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Leishmania major cathepsin L-like protease 0.0063 0.05 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0073 0.0096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0289 0.1119
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Leishmania major cathepsin L-like protease 0.0017 0.0026 0.0521
Schistosoma mansoni survival motor neuron protein 0.0049 0.0353 0.0463
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0088 0.0352
Echinococcus granulosus survival motor neuron protein 1 0.024 0.2286 0.2286
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0194 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0073 0.0073
Leishmania major cytochrome p450-like protein 0.0023 0.0088 0.1765
Brugia malayi chromobox protein homolog 3 0.004 0.0259 0.103
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0026 0.0521
Brugia malayi jmjC domain containing protein 0.0095 0.0819 0.3263
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0362 0.7249
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.023 0.4598
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0073 0.0292
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.1383 0.5511
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0 0.5
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.031 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0337 0.0337
Schistosoma mansoni chromobox protein 0.0071 0.0573 0.0752
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0073 0.0301
Schistosoma mansoni hypothetical protein 0.0029 0.0151 0.0198
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0026 0.0026
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Echinococcus multilocularis peregrin 0.0029 0.0151 0.0151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0266 0.2547 0.2547
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.1383 0.5511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0244 0.0938
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.4514 0.4514
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0073 0.0292
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0213 0.0279
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.031 0.6202
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0073 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0073 0.0292
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0218 0.4357
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0073 0.0096
Onchocerca volvulus 0.0031 0.0172 0.0928
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0026 0.0521
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0259 0.1479
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0266 0.0266
Echinococcus granulosus neuropeptide s receptor 0.046 0.4514 0.4514
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Brugia malayi RNA binding protein 0.0063 0.05 0.1991
Schistosoma mansoni cellular tumor antigen P53 0.0147 0.1342 0.176
Schistosoma mansoni thyroid hormone receptor 0.0287 0.2763 0.3624
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0073 0.0292
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0009 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0102 0.037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0073 0.0073
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Loa Loa (eye worm) hypothetical protein 0.0151 0.1383 0.5511
Echinococcus granulosus chromobox protein 1 0.0071 0.0573 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0128 0.0474
Echinococcus multilocularis tar DNA binding protein 0.0063 0.05 0.05
Schistosoma mansoni tar DNA-binding protein 0.0063 0.05 0.0656
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.023 0.023
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0621 0.0815
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.09 0.3587
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0073 0.0292
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0337 0.0337
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Leishmania major cathepsin L-like protease 0.0063 0.05 1
Brugia malayi ecdysteroid receptor 0.0021 0.0073 0.0292
Loa Loa (eye worm) hypothetical protein 0.0021 0.0073 0.0292
Loa Loa (eye worm) hypothetical protein 0.0048 0.034 0.1355
Plasmodium falciparum phd finger protein, putative 0.0029 0.0151 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0384 0.1531
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.031 0.6202
Loa Loa (eye worm) hypothetical protein 0.005 0.0361 0.1437
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0009 0.0037
Brugia malayi Bromodomain containing protein 0.0029 0.0151 0.0602
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.034 0.1355
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0104
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0073 0.0073
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0088 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0161 0.0607
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.031 0.6202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0217 0.0833
Echinococcus multilocularis chromobox protein 1 0.0071 0.0573 0.0573
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0.0009 0.0184
Onchocerca volvulus 0.0147 0.1342 0.8373
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0151 0.0602
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.05 1
Schistosoma mansoni microtubule-associated protein tau 0.0768 0.7624 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0529
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0573 0.2255
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0104
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0026 0.0067
Schistosoma mansoni coup transcription factor 0.0021 0.0073 0.0096
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0073 0.0073
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.05 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1598 0.6353
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.031 0.6202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0194 0.0739
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0266 0.2547 0.2547
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0353 0.1406
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0073 0.0292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.034 0.1355
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.251 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0073 0.0096
Echinococcus granulosus peregrin 0.0029 0.0151 0.0151
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0026 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0102 0.037
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0073 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0073 0.0292
Echinococcus granulosus jumonji domain containing protein 0.004 0.0266 0.0266
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.024 0.2286 0.9109
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0102 0.037
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0026 0.0067
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0009 0.0012
Leishmania major cathepsin L-like protease 0.0017 0.0026 0.0521

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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