Detailed information for compound 1548872

Basic information

Technical information
  • TDR Targets ID: 1548872
  • Name: 3-(benzoylamino)-N-(4-fluorophenyl)-2,6-dioxo -1-phenyl-1,3-diazinane-4-carboxamide
  • MW: 446.43 | Formula: C24H19FN4O4
  • H donors: 2 H acceptors: 4 LogP: 3.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)C1CC(=O)N(C(=O)N1NC(=O)c1ccccc1)c1ccccc1
  • InChi: 1S/C24H19FN4O4/c25-17-11-13-18(14-12-17)26-23(32)20-15-21(30)28(19-9-5-2-6-10-19)24(33)29(20)27-22(31)16-7-3-1-4-8-16/h1-14,20H,15H2,(H,26,32)(H,27,31)
  • InChiKey: YKNAHJWYEWHFSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(benzoylamino)-N-(4-fluorophenyl)-2,6-dioxo-1-phenyl-hexahydropyrimidine-4-carboxamide
  • N-(4-fluorophenyl)-2,6-dioxo-3-[(oxo-phenylmethyl)amino]-1-phenyl-4-hexahydropyrimidinecarboxamide
  • 3-(benzoylamino)-N-(4-fluorophenyl)-2,6-diketo-1-phenyl-hexahydropyrimidine-4-carboxamide
  • N-(4-fluorophenyl)-2,6-dioxo-1-phenyl-3-(phenylcarbonylamino)-1,3-diazinane-4-carboxamide
  • STK209904
  • 3-Benzoylamino-2,6-dioxo-1-phenyl-hexahydro-pyrimidine-4-carboxylic acid (4-fluoro-phenyl)-amide
  • MLS000775957
  • SMR000439937

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0069 1
Echinococcus multilocularis acetylcholinesterase 0.1898 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0016 0.0066
Schistosoma mansoni importin beta-1 0.0031 0.0069 0.0063
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Entamoeba histolytica hypothetical protein 0.0025 0.0038 0.9199
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0039 0.0212
Echinococcus multilocularis snurportin 1 0.0328 0.1651 0.1647
Mycobacterium ulcerans carboxylesterase, LipT 0.0321 0.1611 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0321 0.1611 0.1606
Schistosoma mansoni ap endonuclease 0.0021 0.0016 0.0011
Plasmodium vivax plasmepsin IV, putative 0.0019 0.0006 0.0033
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0016 0.0011
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0016 0.0011
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0016 0.0067
Loa Loa (eye worm) hypothetical protein 0.0263 0.1306 0.1302
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0039 0.5
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0039 0.0034
Brugia malayi RNA, U transporter 1 0.0087 0.037 0.0365
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0039 0.0034
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0016 0.1717
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1898 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0321 0.1611 0.1606
Echinococcus granulosus BC026374 protein S09 family 0.0321 0.1611 0.1606
Echinococcus granulosus carboxylesterase 5A 0.1898 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0321 0.1611 0.1606
Schistosoma mansoni hypothetical protein 0.0328 0.1651 0.1647
Trichomonas vaginalis ran, putative 0.0023 0.0025 0.0123
Schistosoma mansoni acetylcholinesterase 0.0321 0.1611 0.1606
Plasmodium vivax aspartyl proteinase, putative 0.0019 0.0006 0.0033
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0025 0.002
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0039 0.0212
Loa Loa (eye worm) hypothetical protein 0.0025 0.0039 0.0034
Plasmodium falciparum plasmepsin VII 0.0019 0.0006 0.0033
Echinococcus granulosus acetylcholinesterase 0.1898 1 1
Onchocerca volvulus 0.0025 0.0039 0.0211
Brugia malayi Importin beta-1 subunit 0.0031 0.0069 0.0063
Brugia malayi Carboxylesterase family protein 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Plasmodium vivax aspartyl proteinase, putative 0.0019 0.0006 0.0033
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0334 0.1683 0.1679
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0039 1
Entamoeba histolytica Ran family GTPase 0.0023 0.0025 0.3911
Echinococcus multilocularis acetylcholinesterase 0.1898 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0321 0.1611 0.1606
Brugia malayi Carboxylesterase family protein 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Loa Loa (eye worm) carboxylesterase 0.0321 0.1611 0.1606
Brugia malayi hypothetical protein 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.1898 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0025 0.3154
Schistosoma mansoni ap endonuclease 0.0021 0.0016 0.0011
Plasmodium falciparum plasmepsin X 0.0019 0.0006 0.0033
Schistosoma mansoni ran 0.0023 0.0025 0.002
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0025 0.002
Onchocerca volvulus 0.0321 0.1611 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0025 0.3131
Toxoplasma gondii exonuclease III APE 0.0021 0.0016 0.169
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0025 0.4252
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0025 0.1734
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0321 0.1611 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0016 0.5
Echinococcus granulosus neuroligin 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0063
Plasmodium vivax importin-beta 2, putative 0.0031 0.0069 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0122 0.0553 0.0548
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0016 0.5
Plasmodium falciparum plasmepsin V 0.0019 0.0006 0.0033
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0016 0.0066
Plasmodium vivax plasmepsin V, putative 0.0019 0.0006 0.0033
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0025 0.3154
Leishmania major GTP-binding protein, putative 0.0023 0.0025 0.3911
Schistosoma mansoni neuroligin 3 (S09 family) 0.0321 0.1611 0.1606
Schistosoma mansoni ran 0.0023 0.0025 0.002
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0039 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0321 0.1611 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0039 0.0245
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0069 1
Brugia malayi Carboxylesterase family protein 0.1898 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0039 0.0034
Loa Loa (eye worm) hypothetical protein 0.0142 0.0658 0.0653
Onchocerca volvulus 0.0321 0.1611 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0069 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0016 0.0101
Schistosoma mansoni memapsin-2 (A01 family) 0.0471 0.2413 0.2408
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0038 0.0199
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0025 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0025 0.4252
Mycobacterium tuberculosis Carboxylesterase LipT 0.0321 0.1611 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0025 0.002
Loa Loa (eye worm) carboxylesterase 0.0321 0.1611 0.1606
Plasmodium falciparum plasmepsin IX 0.0019 0.0006 0.0033
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0321 0.1611 0.1606
Schistosoma mansoni BC026374 protein (S09 family) 0.0321 0.1611 0.1606
Mycobacterium ulcerans hypothetical protein 0.0025 0.0039 0.0212
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0039 0.0034
Echinococcus granulosus snurportin 1 0.0328 0.1651 0.1647
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0328 0.1651 0.1647
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0039 0.5
Plasmodium falciparum plasmepsin I 0.0019 0.0006 0.0033
Plasmodium vivax aspartyl protease, putative 0.0019 0.0006 0.0033
Plasmodium falciparum importin beta, putative 0.0031 0.0069 1
Onchocerca volvulus 0.0321 0.1611 1
Plasmodium falciparum plasmepsin IV 0.0019 0.0006 0.0033
Plasmodium vivax aspartyl protease, putative 0.0019 0.0006 0.0033
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0039 0.0212
Onchocerca volvulus 0.0321 0.1611 1
Brugia malayi Carboxylesterase family protein 0.0321 0.1611 0.1606
Echinococcus multilocularis carboxylesterase 5A 0.1898 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1898 1 1
Schistosoma mansoni gliotactin 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0321 0.1611 0.1606
Brugia malayi Carboxylesterase family protein 0.0321 0.1611 0.1606
Plasmodium falciparum plasmepsin VI 0.0019 0.0006 0.0033
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0039 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0039 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0039 0.0212
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0321 0.1611 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0016 0.0011
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0321 0.1611 1
Plasmodium vivax aspartyl protease, putative 0.0019 0.0006 0.0033
Leishmania major importin beta-1 subunit, putative 0.0025 0.0038 0.9199
Loa Loa (eye worm) hypothetical protein 0.0071 0.0281 0.0276
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0039 0.0212
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0025 0.002
Plasmodium falciparum plasmepsin III 0.0019 0.0006 0.0033
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0005 0.5
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0038 0.0199
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0038 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0016 0.1717
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0039 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0005 0.0034
Onchocerca volvulus 0.0321 0.1611 1
Loa Loa (eye worm) carboxylesterase 0.1898 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0039 0.0212
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0321 0.1611 0.1606
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0016 0.0011
Plasmodium falciparum plasmepsin II 0.0019 0.0006 0.0033
Plasmodium falciparum plasmepsin VIII, putative 0.0019 0.0006 0.0033
Echinococcus multilocularis neuroligin 0.0321 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.1898 1 1
Echinococcus granulosus acetylcholinesterase 0.1898 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0039 0.0245
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0039 0.0212
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0069 0.0063
Echinococcus multilocularis BC026374 protein (S09 family) 0.0321 0.1611 0.1606
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0039 0.0034
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0038 0.0199
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0321 0.1611 0.1606
Echinococcus granulosus importin subunit beta 1 0.0031 0.0069 0.0063

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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