Detailed information for compound 142824

Basic information

Technical information
  • TDR Targets ID: 142824
  • Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(di methylamino)-2-oxoethyl]-2-[2-[(4-fluoropheny l)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)me thyl]-4-oxopyrimidin-1-yl]acetamide
  • MW: 673.199 | Formula: C35H34ClFN6O3S
  • H donors: 0 H acceptors: 4 LogP: 5.04 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)CSc1nc(=O)c(cn1CC(=O)N(CC(=O)N(C)C)Cc1ccc(cc1)c1ccc(cc1)Cl)Cc1cnn(c1)C
  • InChi: 1S/C35H34ClFN6O3S/c1-40(2)32(44)21-42(19-24-4-8-27(9-5-24)28-10-12-30(36)13-11-28)33(45)22-43-20-29(16-26-17-38-41(3)18-26)34(46)39-35(43)47-23-25-6-14-31(37)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3
  • InChiKey: ZOLZTTFIWWNGSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(dimethylamino)-2-oxo-ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-1-pyrimidinyl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(dimethylamino)-2-oxo-ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]ethanamide
  • N-[4-(4-chlorophenyl)benzyl]-N-[2-(dimethylamino)-2-keto-ethyl]-2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-dimethylamino-2-oxoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrimidin-1-yl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-dimethylamino-2-oxo-ethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-dimethylamino-2-oxoethyl)-2-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-1-pyrimidinyl]acetamide
  • N-[4-(4-chlorophenyl)benzyl]-N-(2-dimethylamino-2-keto-ethyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-dimethylamino-2-oxo-ethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group VII (platelet-activating factor acetylhydrolase, plasma) Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein Get druggable targets OG5_129351 All targets in OG5_129351
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma congolense phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) platelet-activating factor acetylhydrolase Get druggable targets OG5_129351 All targets in OG5_129351
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania infantum phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0168 0.1135 0.4329
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Trypanosoma cruzi ribonuclease H1, putative 0.0363 0.2586 0.8994
Brugia malayi RNase H family protein 0.0363 0.2586 0.8994
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0057 0.0114
Mycobacterium tuberculosis Possible maturase 0.0031 0.0119 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0107 0.0079
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0155 0.0127
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0107 0.0308
Loa Loa (eye worm) hypothetical protein 0.0028 0.0099 0.0345
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0031 0.0119 0.0354
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0031 0.0119 0.0119
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0031 0.0119 0.0354
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0119 0.0354
Entamoeba histolytica hypothetical protein 0.0036 0.0155 1
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0031 0.0119 0.0354
Echinococcus multilocularis RNA directed DNA polymerase 0.0031 0.0119 0.0354
Brugia malayi intermediate filament protein 0.0029 0.0103 0.0358
Echinococcus granulosus lamin 0.0029 0.0103 0.0293
Schistosoma mansoni importin beta-1 0.0031 0.0117 0.009
Leishmania major importin beta-1 subunit, putative 0.0025 0.0074 0.0258
Onchocerca volvulus 0.0402 0.2875 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0117 0.0117
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0393 0.2815 0.2815
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0004 0.0013
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0074 0.0181
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0074 0.0181
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0117 0.0117
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1405 0.4887
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0103 0.0358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0613 0.2287
Brugia malayi Ets-domain containing protein 0.0077 0.0463 0.1609
Trypanosoma brucei ingi protein (ORF1) 0.0393 0.2815 0.2815
Loa Loa (eye worm) hypothetical protein 0.0031 0.0117 0.0408
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0057 0.0114
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0004 0.0013
Echinococcus multilocularis snurportin 1 0.0327 0.2322 0.8967
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0099 0.0277
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0463 0.1699
Treponema pallidum ribonuclease H (rnhA) 0.0363 0.2586 1
Onchocerca volvulus 0.0402 0.2875 1
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0031 0.0119 0.0354
Echinococcus multilocularis lamin dm0 0.0029 0.0103 0.0293
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Plasmodium vivax importin-beta 2, putative 0.0031 0.0117 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0057 0.0199
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0119 0.0354
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0613 0.2132
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0031 0.0119 0.0091
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0613 0.2132
Toxoplasma gondii ribonuclease HI protein 0.0363 0.2586 1
Echinococcus multilocularis ribonuclease H1 0.0363 0.2586 1
Trichomonas vaginalis set domain proteins, putative 0.0232 0.1614 0.6202
Plasmodium falciparum importin beta, putative 0.0031 0.0117 1
Trichomonas vaginalis reverse transcriptases, putative 0.0031 0.0119 0.0354
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.1258 0.4378
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0057 0.0114
Brugia malayi hypothetical protein 0.0031 0.0119 0.0412
Brugia malayi RNase H family protein 0.0363 0.2586 0.8994
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Trichomonas vaginalis ribonuclease H1, putative 0.0363 0.2586 1
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0031 0.0119 0.0354
Brugia malayi Fli-1 protein 0.0234 0.1629 0.5668
Entamoeba histolytica hypothetical protein 0.0025 0.0074 0.3651
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0028
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0119 0.0354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0613 0.0586
Trichomonas vaginalis reverse transcriptases, putative 0.0031 0.0119 0.0354
Schistosoma mansoni ran 0.0023 0.0057 0.0029
Brugia malayi hypothetical protein 0.0031 0.0119 0.0412
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0028 0.0098
Schistosoma mansoni hypothetical protein 0.0168 0.1135 0.111
Trypanosoma brucei phospholipase A1, putative 0.0402 0.2875 0.2875
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Brugia malayi Pre-SET motif family protein 0.0204 0.1405 0.4887
Trypanosoma cruzi phospholipase A1, putative 0.0402 0.2875 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0119 0.0412
Brugia malayi Pre-SET motif family protein 0.0029 0.0107 0.0372
Trypanosoma brucei RNA helicase, putative 0.136 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0613 0.2287
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Echinococcus granulosus RNA directed DNA polymerase 0.0031 0.0119 0.0354
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0107 0.0308
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0057 0.3262
Schistosoma mansoni phosphoglucomutase 0.0363 0.2586 0.2565
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0107 0.0079
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Echinococcus granulosus importin subunit beta 1 0.0031 0.0117 0.0349
Schistosoma mansoni hypothetical protein 0.0031 0.0119 0.0091
Schistosoma mansoni gabp alpha 0.0077 0.0463 0.0436
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Loa Loa (eye worm) hypothetical protein 0.0029 0.0103 0.0358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0613 0.0586
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Onchocerca volvulus 0.0029 0.0107 0.0014
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0057 0.3262
Loa Loa (eye worm) hypothetical protein 0.0029 0.0107 0.0372
Trypanosoma brucei ribonuclease H1 0.0363 0.2586 0.2586
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0117 0.0349
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0107 0.0308
Brugia malayi Ets-domain containing protein 0.0077 0.0463 0.1609
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0031 0.0119 0.0354
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0031 0.0119 0.0354
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0074 0.0258
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0057 0.0199
Giardia lamblia Ribonuclease H 0.0363 0.2586 1
Leishmania major ribonuclease H1, putative 0.0363 0.2586 0.8994
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0057 0.0199
Brugia malayi RNA, U transporter 1 0.0087 0.0537 0.1869
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0028 0.0098
Brugia malayi Importin beta-1 subunit 0.0031 0.0117 0.0408
Schistosoma mansoni hypothetical protein 0.0168 0.1135 0.111
Echinococcus granulosus lamin dm0 0.0029 0.0103 0.0293
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0057 0.0114
Giardia lamblia Reverse transcriptase/endonuclease 0.0031 0.0119 0.0354
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0107 0.0079
Schistosoma mansoni ets-related 0.0234 0.1629 0.1606
Onchocerca volvulus 0.0031 0.0119 0.0056
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0119 0.0091
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0613 0.2287
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Schistosoma mansoni lamin 0.0029 0.0103 0.0075
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0402 0.2875 1
Onchocerca volvulus 0.0402 0.2875 1
Echinococcus granulosus ribonuclease H1 0.0363 0.2586 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Brugia malayi Zinc knuckle family protein 0.0031 0.0119 0.0412
Trypanosoma cruzi ribonuclease H1, putative 0.0363 0.2586 0.8994
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0119 0.0354
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0363 0.2586 1
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0031 0.0119 0.0056
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0074 0.0181
Trypanosoma cruzi phospholipase A1, putative 0.0402 0.2875 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.2322 0.8076
Echinococcus multilocularis musashi 0.0029 0.0103 0.0293
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Loa Loa (eye worm) fli-1 protein 0.0234 0.1629 0.5668
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0031 0.0119 0.0119
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0028 0.0098
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0028 1
Schistosoma mansoni hypothetical protein 0.0327 0.2322 0.23
Echinococcus granulosus snurportin 1 0.0327 0.2322 0.8967
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Brugia malayi reverse transcriptase 0.0031 0.0119 0.0412
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Echinococcus multilocularis geminin 0.0168 0.1135 0.4329
Schistosoma mansoni phosphoglucomutase 0.0363 0.2586 0.2565
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0119 0.0354
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0155 0.0495
Schistosoma mansoni hypothetical protein 0.0031 0.0119 0.0091
Brugia malayi Zinc knuckle family protein 0.0031 0.0119 0.0412
Entamoeba histolytica hypothetical protein 0.0036 0.0155 1
Trypanosoma brucei unspecified product 0.0393 0.2815 0.2815
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0463 0.1609
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0463 0.1699
Brugia malayi hypothetical protein 0.0036 0.0155 0.0538
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0057 0.0057
Entamoeba histolytica hypothetical protein 0.0036 0.0155 1
Entamoeba histolytica Ran family GTPase 0.0023 0.0057 0.2303
Schistosoma mansoni protein kinase 0.0031 0.0119 0.0091
Leishmania major phospholipase A1, putative 0.0402 0.2875 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0379 0.132
Brugia malayi hypothetical protein 0.0031 0.0119 0.0412
Trypanosoma brucei ingi protein (ORF1) 0.0393 0.2815 0.2815
Schistosoma mansoni intermediate filament proteins 0.0029 0.0103 0.0075
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0031 0.0119 0.0119
Echinococcus multilocularis lamin 0.0029 0.0103 0.0293
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.1258 0.4378
Leishmania major GTP-binding protein, putative 0.0023 0.0057 0.0199
Schistosoma mansoni ran 0.0023 0.0057 0.0029
Brugia malayi reverse transcriptase 0.0031 0.0119 0.0412
Brugia malayi RNase H family protein 0.0363 0.2586 0.8994
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0103 0.0358
Schistosoma mansoni phosphoglucomutase 0.0363 0.2586 0.2565
Schistosoma mansoni hypothetical protein 0.0036 0.0155 0.0127
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0103 0.0358
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Schistosoma mansoni lamin 0.0029 0.0103 0.0075
Brugia malayi reverse transcriptase 0.0031 0.0119 0.0412
Echinococcus granulosus KRAB A domain containing protein 0.0031 0.0119 0.0354
Entamoeba histolytica hypothetical protein 0.0036 0.0155 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0107 0.0308
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0117 0.0349
Brugia malayi Pao retrotransposon peptidase family protein 0.0031 0.0119 0.0412
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0402 0.2875 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0363 0.2586 0.8957
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0107 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0613 0.0586
Plasmodium vivax SET domain protein, putative 0.0029 0.0107 0.8829
Echinococcus granulosus intermediate filament protein 0.0029 0.0103 0.0293
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0057 0.0199
Onchocerca volvulus 0.0031 0.0119 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0613 0.2287
Onchocerca volvulus 0.0232 0.1614 0.5453
Trypanosoma brucei hypothetical protein, conserved 0.0393 0.2815 0.2815
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0028 0.0098
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0098
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0155 0.0495
Brugia malayi hypothetical protein 0.0031 0.0119 0.0412
Trichomonas vaginalis ran, putative 0.0023 0.0057 0.0114

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.2 nM Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated ChEMBL. 12182870
IC50 (binding) = 0.2 nM Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated ChEMBL. 12182870
IC50 (ADMET) > 0.5 uM Inhibition of cytochrome P450 3A4 ChEMBL. 12182870
IC50 (ADMET) > 0.5 uM Inhibition of cytochrome P450 3A4 ChEMBL. 12182870
Inhibition (binding) = 80 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in whole human plasma (10 nM) ChEMBL. 12182870
Inhibition (binding) = 80 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in whole human plasma (10 nM) ChEMBL. 12182870
Inhibition (binding) = 84 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in WHHL rabbit plasma (100 nM) ChEMBL. 12182870
Inhibition (binding) = 84 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in WHHL rabbit plasma (100 nM) ChEMBL. 12182870

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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