Detailed information for compound 906572

Basic information

Technical information
  • TDR Targets ID: 906572
  • Name: 2-phenylethyl 1,6-dimethyl-2-oxo-4-[4-(triflu oromethyl)phenyl]-3,4-dihydropyrimidine-5-car boxylate
  • MW: 418.409 | Formula: C22H21F3N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C(=O)NC(C(=C1C)C(=O)OCCc1ccccc1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C22H21F3N2O3/c1-14-18(20(28)30-13-12-15-6-4-3-5-7-15)19(26-21(29)27(14)2)16-8-10-17(11-9-16)22(23,24)25/h3-11,19H,12-13H2,1-2H3,(H,26,29)
  • InChiKey: LYQUHWQHGAMTIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrimidine-5-carboxylic acid 2-phenylethyl ester
  • 2-keto-1,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrimidine-5-carboxylic acid 2-phenylethyl ester
  • ST024515
  • ChemDiv1_003340

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
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Loa Loa (eye worm) ctsf protein 0.0073 0.1349 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0793 0.0379
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.0793 0.0379
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0073 0.1349 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0534 0.0725
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0073 0.1349 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Schistosoma mansoni cathepsin F (C01 family) 0.0073 0.1349 0.086
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.7369 1
Loa Loa (eye worm) cysteine protease 0.0073 0.1349 0.0603
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1638 0.1166
Loa Loa (eye worm) hypothetical protein 0.0083 0.1638 0.0917
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.0793 0.1076
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0389 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0073 0.1349 0.086
Echinococcus granulosus cathepsin l cysteine peptidase 0.0073 0.1349 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0073 0.1349 0.0603
Onchocerca volvulus Cathepsin F homolog 0.0073 0.1349 0.6575
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.1349 0.086
Onchocerca volvulus 0.0073 0.1349 0.6575
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.3272 1
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Plasmodium vivax vivapain-2 0.0073 0.1349 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0534 0.1735
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Onchocerca volvulus 0.0073 0.1349 0.6575
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0043 0.0534 0.3961
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.3272 1
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0534 0.0725
Echinococcus granulosus cathepsin l1 0.0052 0.0793 0.0274
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0389 1 1
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Echinococcus granulosus cathepsin b 0.0389 1 1
Plasmodium vivax vivapain-3 0.0043 0.0534 0.3961
Echinococcus multilocularis cysteine protease 0.0073 0.1349 0.086
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0534 0.0725
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0389 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1638 0.1166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Onchocerca volvulus 0.0073 0.1349 0.6575
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Echinococcus multilocularis cysteine protease 0.0073 0.1349 0.086
Brugia malayi Cathepsin L-like precursor 0.0052 0.0793 0.0274
Echinococcus multilocularis cathepsin b 0.0389 1 1
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0136 0.3078 0.2688
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.1349 0.086
Onchocerca volvulus 0.0073 0.1349 0.6575
Brugia malayi Papain family cysteine protease containing protein 0.0073 0.1349 0.086
Onchocerca volvulus 0.0073 0.1349 0.6575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0389 1 1
Onchocerca volvulus Cathepsin L homolog 0.0073 0.1349 0.6575
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.1349 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Brugia malayi cathepsin L-like precursor 0.0052 0.0793 0.0274
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Brugia malayi Cathepsin L-like precursor 0.0052 0.0793 0.0274
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.7369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Onchocerca volvulus 0.0073 0.1349 0.6575
Plasmodium vivax vivapain-2 0.0073 0.1349 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Toxoplasma gondii cathepsin CPL 0.0073 0.1349 0.4381
Plasmodium vivax vivapain-1 0.0043 0.0534 0.3961
Entamoeba histolytica cysteine proteinase, putative 0.0073 0.1349 0.183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0136 0.3078 0.2688
Loa Loa (eye worm) cathepsin B 0.0136 0.3078 0.2482
Onchocerca volvulus 0.0073 0.1349 0.6575
Leishmania major cysteine peptidase A (CPA) 0.0073 0.1349 0.4381
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Toxoplasma gondii cathepsin B 0.0136 0.3078 1
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Schistosoma mansoni cathepsin F (C01 family) 0.0073 0.1349 0.086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1638 0.1166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Loa Loa (eye worm) fibroinase 0.0073 0.1349 0.0603
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.1349 0.086
Trypanosoma brucei cysteine peptidase C (CPC) 0.0136 0.3078 1
Onchocerca volvulus Cathepsin L homolog 0.0073 0.1349 0.6575
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0073 0.1349 0.1191
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0073 0.1349 0.1191
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0073 0.1349 0.086
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0052 0.0793 0.0274
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.7369 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Plasmodium falciparum cysteine proteinase falcipain 3 0.0073 0.1349 1
Plasmodium vivax unspecified product 0.0043 0.0534 0.3961
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Leishmania major cathepsin L-like protease 0.0073 0.1349 0.4381
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.0793 0.0274
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0389 1 1
Echinococcus granulosus cathepsin b 0.0389 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0052 0.0793 0.0274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Onchocerca volvulus 0.0083 0.1638 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0136 0.3078 0.3722
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Echinococcus granulosus cathepsin L cysteine proteinase 0.0073 0.1349 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Entamoeba histolytica cysteine proteinase 2 0.0043 0.0534 0.0725
Entamoeba histolytica cysteine proteinase 1, putative 0.0043 0.0534 0.0725
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.7369 1
Entamoeba histolytica cysteine proteinase, putative 0.0073 0.1349 0.183
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0534 0.0725
Echinococcus multilocularis cathepsin b 0.0389 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1349 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Loa Loa (eye worm) hypothetical protein 0.0389 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.3272 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381
Echinococcus multilocularis cathepsin L cysteine protease 0.0073 0.1349 0.086
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0073 0.1349 0.0603
Brugia malayi Cathepsin L-like precursor 0.0073 0.1349 0.086
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0 0.5
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0136 0.3078 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0534 0.1735
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1638 0.1166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0073 0.1349 0.1191
Echinococcus granulosus cathepsin l1 0.0073 0.1349 0.086
Entamoeba histolytica cysteine protease, putative 0.0073 0.1349 0.183
Echinococcus multilocularis cathepsin L cysteine protease 0.0073 0.1349 0.086
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Entamoeba histolytica cysteine protease, putative 0.0043 0.0534 0.0725
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.1349 0.086
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.7369 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.1349 0.4381

Activities

No activities found for this compound.

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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