Detailed information for compound 28805

Basic information

Technical information
  • TDR Targets ID: 28805
  • Name: 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3- methoxyphenyl)-3-[(2R)-1-[(2-methoxyphenyl)me thylamino]propan-2-yl]-6-methylpyrimidine-2,4 -dione
  • MW: 553.572 | Formula: C30H30F3N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1CNC[C@H](n1c(=O)c(c2cccc(c2F)OC)c(n(c1=O)Cc1c(F)cccc1F)C)C
  • InChi: 1S/C30H30F3N3O4/c1-18(15-34-16-20-9-5-6-13-25(20)39-3)36-29(37)27(21-10-7-14-26(40-4)28(21)33)19(2)35(30(36)38)17-22-23(31)11-8-12-24(22)32/h5-14,18,34H,15-17H2,1-4H3/t18-/m1/s1
  • InChiKey: HCBZABVVDVASTO-GOSISDBHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxy-phenyl)-3-[(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-ethyl]-6-methyl-pyrimidine-2,4-dione
  • 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-3-[(1R)-2-[(2-methoxyphenyl)methylamino]-1-methylethyl]-6-methylpyrimidine-2,4-dione
  • 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxy-phenyl)-3-[(2R)-1-[(2-methoxyphenyl)methylamino]propan-2-yl]-6-methyl-pyrimidine-2,4-dione
  • 1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-[(1R)-1-methyl-2-(o-anisylamino)ethyl]pyrimidine-2,4-quinone
  • 1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxy-phenyl)-3-[(1R)-2-[(2-methoxybenzyl)amino]-1-methyl-ethyl]-6-methyl-pyrimidine-2,4-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Gonadotropin-releasing hormone receptor Starlite/ChEMBL References
Homo sapiens gonadotropin-releasing hormone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GnHR receptor homolog Get druggable targets OG5_131719 All targets in OG5_131719
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Gonadotropin-releasing hormone receptor   327 aa 273 aa 19.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Gonadotropin-releasing hormone receptor   327 aa 263 aa 23.2 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Gonadotropin-releasing hormone receptor   327 aa 343 aa 21.6 %
Echinococcus granulosus tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 19.1 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 271 aa 20.7 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 292 aa 19.5 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 20.8 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 19.0 %
Schistosoma mansoni peptide (allatostatin)-like receptor Gonadotropin-releasing hormone receptor   327 aa 272 aa 23.2 %
Echinococcus granulosus allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 284 aa 22.9 %
Schistosoma mansoni neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Gonadotropin-releasing hormone receptor   327 aa 334 aa 21.6 %
Echinococcus multilocularis allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 279 aa 23.7 %
Brugia malayi ORL1-like opioid receptor Gonadotropin-releasing hormone receptor   327 aa 293 aa 20.8 %
Echinococcus multilocularis neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 20.9 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 24.3 %
Echinococcus granulosus tm gpcr rhodopsin Gonadotropin-releasing hormone receptor   327 aa 299 aa 23.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Gonadotropin-releasing hormone receptor   327 aa 290 aa 19.7 %
Echinococcus multilocularis tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 20.1 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 284 aa 19.4 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 27.8 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Gonadotropin-releasing hormone receptor   327 aa 305 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.089
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0066 0.0019 0.0061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Loa Loa (eye worm) calpain 5 0.0153 0.0516 0.0516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Echinococcus multilocularis calpain family protein 1, d 0.0426 0.2076 0.2076
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.1815 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0077 0.0083 0.0083
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Echinococcus granulosus calpain 5 0.0218 0.089 0.089
Brugia malayi calpain family protein 1 0.0579 0.2948 0.2948
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0122 0.0394
Trypanosoma cruzi cysteine proteinase, putative 0.0077 0.0083 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0019 0.0061
Schistosoma mansoni calpain-7 (C02 family) 0.0218 0.089 0.089
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Trichomonas vaginalis calcium binding protein, putative 0.0094 0.0178 0.0577
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Entamoeba histolytica cysteine proteinase, putative 0.0098 0.0205 0.3973
Brugia malayi calpain D 0.0066 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Onchocerca volvulus 0.0098 0.0205 0.1204
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0077 0.0083 0.0083
Schistosoma mansoni cathepsin F (C01 family) 0.0098 0.0205 0.0205
Echinococcus multilocularis hypothetical protein 0.0218 0.089 0.089
Echinococcus granulosus calpain 7 C02 family 0.0218 0.089 0.089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0066 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0426 0.2076 0.2076
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0098 0.0205 0.0205
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0218 0.089 0.2835
Echinococcus granulosus cysteine protease 0.0077 0.0083 0.0083
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Onchocerca volvulus Cathepsin L homolog 0.0098 0.0205 0.1204
Trypanosoma brucei antigen, putative 0.0218 0.089 0.2835
Echinococcus multilocularis calpain A 0.0619 0.3174 0.3174
Echinococcus multilocularis cathepsin L 0.0077 0.0083 0.0083
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1815 1 1
Onchocerca volvulus Cathepsin F homolog 0.0098 0.0205 0.1204
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Trypanosoma cruzi cysteine protease, putative 0.0077 0.0083 0.0083
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0619 0.3174 0.3174
Loa Loa (eye worm) fibroinase 0.0098 0.0205 0.0205
Echinococcus granulosus cathepsin b 0.1815 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.089
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Echinococcus multilocularis calpain 5 0.0218 0.089 0.089
Brugia malayi Cathepsin L-like precursor 0.0084 0.0122 0.0122
Echinococcus multilocularis programmed cell death protein 0.0094 0.0178 0.0178
Onchocerca volvulus 0.0098 0.0205 0.1204
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Trypanosoma brucei cysteine peptidase C (CPC) 0.0604 0.3093 1
Onchocerca volvulus 0.0098 0.0205 0.1204
Leishmania major kinesin, putative 0.0153 0.0516 0.1616
Trichomonas vaginalis calpain, putative 0.0066 0.0019 0.0061
Toxoplasma gondii hypothetical protein 0.0066 0.0019 0.0061
Loa Loa (eye worm) cysteine protease 0.0098 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0513 0.2573 0.2573
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Schistosoma mansoni calpain (C02 family) 0.0218 0.089 0.089
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0066 0.0019 0.0019
Loa Loa (eye worm) calpain family protein 1 0.0426 0.2076 0.2076
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0077 0.0083 0.0083
Trypanosoma brucei calpain-like protein, putative 0.0218 0.089 0.2835
Brugia malayi GnHR receptor homolog 0.1117 0.6018 0.6018
Trichomonas vaginalis calpain, putative 0.0066 0.0019 0.0061
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0218 0.089 0.089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0579 0.2948 0.2948
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1815 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.0083 0.0269
Loa Loa (eye worm) hypothetical protein 0.0084 0.0122 0.0122
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1815 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.0083 0.1611
Loa Loa (eye worm) calpain D 0.0066 0.0019 0.0019
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.2835
Toxoplasma gondii cathepsin B 0.0604 0.3093 1
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Giardia lamblia Cathepsin B precursor 0.0604 0.3093 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0083 0.0209
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0604 0.3093 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0066 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0077 0.0083 0.0083
Onchocerca volvulus 0.036 0.1702 1
Loa Loa (eye worm) calpain 0.0218 0.089 0.089
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0098 0.0205 0.0205
Echinococcus granulosus cathepsin b 0.1815 1 1
Onchocerca volvulus Cathepsin L homolog 0.0098 0.0205 0.1204
Entamoeba histolytica grainin 2 0.0094 0.0178 0.3459
Trichomonas vaginalis calpain, putative 0.0066 0.0019 0.0061
Echinococcus multilocularis programmed cell death protein 0.0094 0.0178 0.0178
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.0083 0.0269
Trypanosoma brucei calpain-like protein, putative 0.0218 0.089 0.2835
Entamoeba histolytica calpain large subunit domain III containing protein 0.0153 0.0516 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Echinococcus granulosus calpain A 0.0619 0.3174 0.3174
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0579 0.2948 0.2948
Brugia malayi Cathepsin L-like cysteine proteinase 0.0084 0.0122 0.0122
Plasmodium vivax vivapain-3 0.0077 0.0083 0.0933
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Entamoeba histolytica calpain family cysteine protease, putative 0.0066 0.0019 0.0367
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Brugia malayi calpain 5 0.0066 0.0019 0.0019
Plasmodium falciparum calpain 0.0066 0.0019 0.0924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0083 0.0209
Trichomonas vaginalis calmodulin, putative 0.0094 0.0178 0.0577
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0066 0.0019 0.0019
Plasmodium vivax unspecified product 0.0077 0.0083 0.0933
Trypanosoma cruzi kinesin, putative 0.0153 0.0516 0.0516
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Echinococcus multilocularis cathepsin b 0.1815 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0077 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.017 0.0614 0.0614
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0098 0.0205 0.0205
Trypanosoma brucei kinesin, putative 0.0153 0.0516 0.1616
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0098 0.0205 0.0205
Echinococcus multilocularis calpain 7 (C02 family) 0.0218 0.089 0.089
Echinococcus granulosus cathepsin l1 0.0098 0.0205 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Schistosoma mansoni hypothetical protein 0.0066 0.0019 0.0019
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.0205 0.0205
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.089
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Brugia malayi calpain family protein 1 0.0579 0.2948 0.2948
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0098 0.0205 0.0205
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.2835
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Onchocerca volvulus 0.0098 0.0205 0.1204
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.2835
Echinococcus granulosus cathepsin L cysteine protease 0.0077 0.0083 0.0083
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Echinococcus granulosus cathepsin l cysteine peptidase 0.0098 0.0205 0.0205
Schistosoma mansoni Mername-AA248 (C02 family) 0.0218 0.089 0.089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma cruzi centrin-3 0.0094 0.0178 0.0178
Echinococcus multilocularis cathepsin L cysteine protease 0.0098 0.0205 0.0205
Plasmodium vivax vivapain-1 0.0077 0.0083 0.0933
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.089
Plasmodium falciparum cysteine proteinase falcipain 3 0.0098 0.0205 1
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.0122 0.2362
Entamoeba histolytica cysteine protease, putative 0.0098 0.0205 0.3973
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0604 0.3093 0.3093
Trypanosoma brucei calpain-like protein, putative 0.0218 0.089 0.2835
Entamoeba histolytica cysteine proteinase, putative 0.0098 0.0205 0.3973
Entamoeba histolytica cysteine proteinase 1, putative 0.0077 0.0083 0.1611
Schistosoma mansoni cathepsin F (C01 family) 0.0098 0.0205 0.0205
Echinococcus granulosus geminin 0.017 0.0614 0.0614
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0604 0.3093 1
Trypanosoma cruzi centrin, putative 0.0094 0.0178 0.0178
Onchocerca volvulus 0.0098 0.0205 0.1204
Echinococcus granulosus calpain 0.0218 0.089 0.089
Loa Loa (eye worm) cathepsin B 0.0604 0.3093 0.3093
Echinococcus granulosus cathepsin l1 0.0084 0.0122 0.0122
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0218 0.089 0.089
Trypanosoma cruzi cruzipain precursor, putative 0.0098 0.0205 0.0205
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.0083 0.1611
Echinococcus multilocularis cathepsin b 0.1815 1 1
Trichomonas vaginalis hypothetical protein 0.0066 0.0019 0.0061
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0218 0.089 0.2835
Entamoeba histolytica cysteine proteinase 2 0.0077 0.0083 0.1611
Trypanosoma cruzi centrin, putative 0.0094 0.0178 0.0178
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.0083 0.1611
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Brugia malayi calpain 5 0.0153 0.0516 0.0516
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Echinococcus multilocularis cysteine protease 0.0098 0.0205 0.0205
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.0083 0.0083
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1815 1 1
Echinococcus granulosus cathepsin L 0.0077 0.0083 0.0083
Brugia malayi Papain family cysteine protease containing protein 0.0098 0.0205 0.0205
Entamoeba histolytica protein kinase, putative 0.0153 0.0516 1
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Echinococcus granulosus cathepsin L cysteine proteinase 0.0098 0.0205 0.0205
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.0083 0.0083
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0218 0.089 0.089
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0098 0.0205 0.0663
Schistosoma mansoni calpain C (C02 family) 0.0218 0.089 0.089
Plasmodium falciparum cysteine proteinase falcipain 1 0.0077 0.0083 0.4054
Trypanosoma cruzi kinesin, putative 0.0153 0.0516 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0122 0.0394
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.0205 0.0605
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0218 0.089 0.089
Leishmania major cysteine peptidase A (CPA) 0.0098 0.0205 0.0605
Trypanosoma brucei caltractin, putative 0.0094 0.0178 0.0519
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0066 0.0019 0.0019
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Echinococcus multilocularis geminin 0.017 0.0614 0.0614
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0066 0.0019 0.0019
Brugia malayi calpain 7 0.0218 0.089 0.089
Onchocerca volvulus 0.0098 0.0205 0.1204
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0066 0.0019 0.0061
Plasmodium vivax vivapain-2 0.0098 0.0205 0.2302
Entamoeba histolytica cysteine protease, putative 0.0077 0.0083 0.1611
Giardia lamblia Cathepsin B precursor 0.0604 0.3093 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0619 0.3174 0.3174
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0098 0.0205 0.0663
Echinococcus multilocularis cathepsin L cysteine protease 0.0098 0.0205 0.0205
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0066 0.0019 0.0019
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0218 0.089 0.089
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0098 0.0205 1
Brugia malayi Cathepsin L-like precursor 0.0098 0.0205 0.0205
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0218 0.089 0.089
Trypanosoma cruzi conserved protein 0.0066 0.0019 0.0019
Echinococcus granulosus programmed cell death protein 0.0094 0.0178 0.0178
Echinococcus granulosus calpain A 0.0218 0.089 0.089
Plasmodium vivax vivapain-2 0.0098 0.0205 0.2302
Trypanosoma brucei calpain-like protein, putative 0.0218 0.089 0.2835
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0084 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0084 0.0122 0.0122
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0604 0.3093 0.3093
Toxoplasma gondii cathepsin CPL 0.0098 0.0205 0.0663
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0619 0.3174 0.3174
Schistosoma mansoni calpain-7 (C02 family) 0.0218 0.089 0.089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0098 0.0205 1
Schistosoma mansoni hypothetical protein 0.017 0.0614 0.0614
Trypanosoma brucei centrin-3 0.0094 0.0178 0.0519
Echinococcus multilocularis cysteine protease 0.0098 0.0205 0.0205
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0083 0.0083
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0619 0.3174 0.3174
Onchocerca volvulus 0.0084 0.0122 0.0716
Loa Loa (eye worm) hypothetical protein 0.0084 0.0122 0.0122
Brugia malayi Cathepsin L-like precursor 0.0084 0.0122 0.0122
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.0205 0.0205
Onchocerca volvulus 0.0098 0.0205 0.1204
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.0083 0.1611
Plasmodium vivax calpain, putative 0.0218 0.089 1
Loa Loa (eye worm) calpain family protein 1 0.0579 0.2948 0.2948
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0098 0.0205 0.0663
Loa Loa (eye worm) hypothetical protein 0.036 0.1702 0.1702
Echinococcus multilocularis calpain 0.0218 0.089 0.089
Loa Loa (eye worm) ctsf protein 0.0098 0.0205 0.0205
Leishmania major cathepsin L-like protease 0.0098 0.0205 0.0605
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1815 1 1
Giardia lamblia Cathepsin B precursor 0.0604 0.3093 1
Schistosoma mansoni calpain-2 (C02 family) 0.0066 0.0019 0.0019
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.0205 0.0205
Brugia malayi cathepsin L-like precursor 0.0084 0.0122 0.0122

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.7 nM In vitro inhibition of [Ca2+] influx in RBL cells expressing Gonadotropin-releasing hormone receptor ChEMBL. 14971906
IC50 (functional) = 5.7 nM In vitro inhibition of [Ca2+] influx in RBL cells expressing Gonadotropin-releasing hormone receptor ChEMBL. 14971906
Ki (binding) = 3.7 nM Binding affinity at human GnRH receptor ChEMBL. 18419112
Ki (binding) = 3.9 nM Binding affinity evaluated by the ability to inhibit des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]- Gonadotropin-releasing hormone binding to cloned human Gonadotropin-releasing hormone receptor expressed in HEK293 cells ChEMBL. 14971906
Ki (binding) = 3.9 nM Binding affinity evaluated by the ability to inhibit des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]- Gonadotropin-releasing hormone binding to cloned human Gonadotropin-releasing hormone receptor expressed in HEK293 cells ChEMBL. 14971906
Ki (binding) = 30 nM In vivo inhibition of monkey Gonadotropin-releasing hormone receptor ChEMBL. 14971906
Ki (binding) = 30 nM In vivo inhibition of monkey Gonadotropin-releasing hormone receptor ChEMBL. 14971906
Ki (binding) = 7900 nM In vivo inhibition of rat Gonadotropin-releasing hormone receptor ChEMBL. 14971906
Ki (binding) = 7900 nM In vivo inhibition of rat Gonadotropin-releasing hormone receptor ChEMBL. 14971906

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

2 literature references were collected for this gene.

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