Detailed information for compound 926764

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 528.645 | Formula: C30H36N6O3
  • H donors: 2 H acceptors: 4 LogP: 3.28 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC(=O)c1cnn(c1C)c1ccc(cc1)NC(=O)c1cn(c2c1cc(C)cc2)CC(=O)N(CCNC)C
  • InChi: 1S/C30H36N6O3/c1-6-7-28(37)25-17-32-36(21(25)3)23-11-9-22(10-12-23)33-30(39)26-18-35(19-29(38)34(5)15-14-31-4)27-13-8-20(2)16-24(26)27/h8-13,16-18,31H,6-7,14-15,19H2,1-5H3,(H,33,39)
  • InChiKey: BSXBEWQFUIMPMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2Y, G-protein coupled, 12 Starlite/ChEMBL References
Rattus norvegicus Purinergic receptor P2Y12 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis allatostatin A receptor Purinergic receptor P2Y12   343 aa 337 aa 21.4 %
Echinococcus multilocularis neuropeptide receptor Purinergic receptor P2Y12   343 aa 325 aa 23.7 %
Schistosoma japonicum Myosin-XVIIIa, putative Purinergic receptor P2Y12   343 aa 325 aa 22.8 %
Onchocerca volvulus Purinergic receptor P2Y12   343 aa 323 aa 22.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Purinergic receptor P2Y12   343 aa 328 aa 23.5 %
Schistosoma mansoni peptide (allatostatin)-like receptor Purinergic receptor P2Y12   343 aa 359 aa 20.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Purinergic receptor P2Y12   343 aa 334 aa 21.6 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Purinergic receptor P2Y12   343 aa 372 aa 19.6 %
Echinococcus granulosus allatostatin A receptor Purinergic receptor P2Y12   343 aa 337 aa 21.4 %
Schistosoma mansoni neuropeptide receptor Purinergic receptor P2Y12   343 aa 305 aa 24.9 %
Echinococcus granulosus neuropeptide receptor Purinergic receptor P2Y12   343 aa 349 aa 22.6 %
Echinococcus multilocularis rhodopsin orphan GPCR Purinergic receptor P2Y12   343 aa 347 aa 20.2 %
Onchocerca volvulus Purinergic receptor P2Y12   343 aa 281 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.058 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.3417 0.3417
Brugia malayi nuclear receptor NHR-88 0.0081 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0081 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Brugia malayi hypothetical protein 0.0043 0.4122 0.4122
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.3417 0.3305
Brugia malayi Nuclear hormone receptor E75 0.0038 0.3417 0.3417
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.3186 0.3186
Echinococcus multilocularis thyroid hormone receptor alpha 0.0081 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.677 0.677
Toxoplasma gondii cathepsin CPL 0.0017 0.0166 0.3395
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.5409 0.7162
Schistosoma mansoni thyroid hormone receptor 0.0081 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.4122 0.4122
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0166 0.022
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.677 0.677
Echinococcus granulosus nuclear receptor nhr 48 0.0038 0.3417 0.3417
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0038 0.3417 0.3417
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.3417 0.3305
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Leishmania major cathepsin L-like protease 0.0065 0.7552 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.3417 0.3417
Leishmania major cathepsin L-like protease 0.0065 0.7552 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) DR-78 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0166 0.0166
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0081 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0081 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0043 0.4122 0.4122
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0166 0.3395
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.049 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Schistosoma mansoni hypothetical protein 0.0037 0.3186 0.3186
Onchocerca volvulus 0.0038 0.3417 0.3305
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.677 0.677
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0081 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.7552 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 1 1
Schistosoma mansoni nuclear hormone receptor 0.0081 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4718 0.4718
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0038 0.3417 0.3417
Brugia malayi nuclear receptor NHR-67 0.0038 0.3417 0.3417
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0043 0.4122 0.4122
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0081 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0081 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.6683 0.8849
Brugia malayi Nuclear hormone receptor-like 1 0.0081 1 1
Schistosoma mansoni nuclear hormone receptor 0.0038 0.3417 0.3417
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0166 0.0166
Schistosoma mansoni thyroid hormone receptor 0.0081 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0166 0.0166
Schistosoma mansoni nuclear receptor 0.0038 0.3417 0.3417
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.049 0.049
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.4122 0.4122
Leishmania major cathepsin L-like protease 0.0017 0.0166 0.022
Loa Loa (eye worm) steroid hormone receptor 0.0081 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0166 0.0166
Entamoeba histolytica hypothetical protein 0.0037 0.3186 1
Plasmodium vivax vivapain-2 0.0017 0.0166 0.3395
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0166 0.022
Brugia malayi Steroid receptor seven-up type 2 0.0081 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.049 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0081 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0166 0.0166
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0081 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.049 0.0649
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.049 0.0649
Echinococcus multilocularis cysteine protease 0.0017 0.0166 0.0166
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4718 0.4718
Loa Loa (eye worm) hypothetical protein 0.0043 0.4122 0.4122
Leishmania major cathepsin L-like protease 0.0017 0.0166 0.022
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0166 0.3395
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0081 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4718 0.4718
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.049 0.049
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.677 0.677
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0081 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.3186 0.3186
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0043 0.4122 0.4122
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0081 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0081 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.049 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.049 0.0649
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0081 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4718 0.4718
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0166 0.3395
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0081 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0038 0.3417 0.3417
Schistosoma mansoni zinc finger protein 0.0038 0.3417 0.3417
Loa Loa (eye worm) ctsf protein 0.0017 0.0166 0.0166
Onchocerca volvulus 0.0038 0.3417 0.3305
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0081 1 1
Brugia malayi ecdysone receptor 0.0038 0.3417 0.3417
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0038 0.3417 0.3417
Brugia malayi jmjC domain containing protein 0.006 0.677 0.677
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Trypanosoma cruzi cytochrome P450, putative 0.002 0.058 0.0768
Schistosoma mansoni steroid hormone receptor ad4bp 0.0081 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.677 0.677
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.677 0.677
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0081 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0166 0.0166
Brugia malayi jmjC domain containing protein 0.006 0.677 0.677
Brugia malayi nuclear receptor RXR 0.0038 0.3417 0.3417
Echinococcus granulosus cathepsin l1 0.0017 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Leishmania major cytochrome p450-like protein 0.002 0.058 0.0768
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0081 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.4122 0.4122
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.3417 0.3417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Brugia malayi hypothetical protein 0.0043 0.4122 0.4122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.058 0.058
Loa Loa (eye worm) CYP4Cod1 0.002 0.058 0.058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0081 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0081 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.049 0.049
Schistosoma mansoni RAR-like nuclear receptor 0.0081 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.4122 0.4122
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0081 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0038 0.3417 0.3417
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0166 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0081 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0038 0.3417 0.3417
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.049 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0081 1 1
Onchocerca volvulus 0.0081 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.3186 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0081 1 1
Schistosoma mansoni nuclear receptor 0.0038 0.3417 0.3417
Brugia malayi Nuclear hormone receptor E75 0.0038 0.3417 0.3417
Trypanosoma brucei cytochrome P450, putative 0.002 0.058 0.0768
Leishmania major cathepsin L-like protease 0.0065 0.7552 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0081 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 1 1
Brugia malayi nuclear hormone receptor 0.0038 0.3417 0.3417
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.049 1
Brugia malayi conserved hypotetical protein 0.0038 0.3417 0.3417
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.7552 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.677 0.677
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Echinococcus multilocularis nuclear receptor nhr 48 0.0038 0.3417 0.3417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4718 0.4718
Loa Loa (eye worm) cysteine protease 0.0017 0.0166 0.0166
Loa Loa (eye worm) fibroinase 0.0017 0.0166 0.0166
Brugia malayi tailless protein 0.0038 0.3417 0.3417
Brugia malayi nuclear hormone receptor 0.0081 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0166 0.0166
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.049 0.049
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Plasmodium vivax vivapain-2 0.0017 0.0166 0.3395
Brugia malayi nuclear receptor RXR 0.0043 0.4122 0.4122
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.049 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.3186 0.3186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0081 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0166 0.0166
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0081 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4718 0.4718
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4718 0.4718
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.049 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi steroid hormone receptor 0.0081 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4718 0.4718
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4718 0.4718
Schistosoma mansoni ap endonuclease 0.0019 0.049 0.049
Echinococcus granulosus FTZ F1 alpha 0.0081 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0081 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.049 0.1073
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Entamoeba histolytica hypothetical protein 0.0037 0.3186 1
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.7552 1
Echinococcus multilocularis cysteine protease 0.0017 0.0166 0.0166
Trypanosoma cruzi cytochrome P450, putative 0.002 0.058 0.0768
Loa Loa (eye worm) hypothetical protein 0.0038 0.3417 0.3417
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Onchocerca volvulus Protein ultraspiracle homolog 0.0081 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0166 0.0166
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.3417 0.3417
Leishmania major cathepsin L-like protease 0.0017 0.0166 0.022
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.4122 0.4122
Brugia malayi hypothetical protein 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0043 0.4122 0.4122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.4122 0.4122
Schistosoma mansoni jumonji domain containing protein 0.006 0.677 0.677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0081 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0038 0.3417 0.3417
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.3417 0.3417
Brugia malayi Cathepsin L-like precursor 0.0017 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0166 0.022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Brugia malayi Cytochrome P450 family protein 0.002 0.058 0.058
Brugia malayi nuclear receptor NHR-88 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0043 0.4122 0.4122
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0081 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0038 0.3417 0.3417
Schistosoma mansoni nuclear hormone receptor 0.0038 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.0166
Onchocerca volvulus Bile acid receptor homolog 0.0081 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0081 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0166 0.022
Brugia malayi hypothetical protein 0.0038 0.3417 0.3417
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.3186 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.058 0.058
Loa Loa (eye worm) nuclear hormone receptor 0.0038 0.3417 0.3417
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.049 0.0649
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0038 0.3417 0.3417
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 1 1
Brugia malayi Cytochrome P450 family protein 0.002 0.058 0.058
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.049 0.049
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0166 0.0166
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.7552 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.7552 1
Toxoplasma gondii exonuclease III APE 0.0019 0.049 1
Brugia malayi orphan nuclear receptor NR2E1 0.0038 0.3417 0.3417
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.049 1
Schistosoma mansoni coup transcription factor 0.0081 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi hypothetical protein 0.0037 0.3186 0.3186
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0081 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0081 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 94 nM Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis ChEMBL. 25075638
IC50 (binding) = 1.5 uM Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation ChEMBL. 25075638

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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