Detailed information for compound 623177

Basic information

Technical information
  • TDR Targets ID: 623177
  • Name: N-(3-chloro-4-fluorophenyl)-1-[(E)-4,4,4-trif luoro-3-oxobut-1-enyl]pyrrolidine-2-carboxami de
  • MW: 364.723 | Formula: C15H13ClF4N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN1/C=C/C(=O)C(F)(F)F)Nc1ccc(c(c1)Cl)F
  • InChi: 1S/C15H13ClF4N2O2/c16-10-8-9(3-4-11(10)17)21-14(24)12-2-1-6-22(12)7-5-13(23)15(18,19)20/h3-5,7-8,12H,1-2,6H2,(H,21,24)/b7-5+
  • InChiKey: XSGHPWWFLHERDM-FNORWQNLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-fluorophenyl)-1-(4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxamide
  • N-(3-chloro-4-fluoro-phenyl)-1-[(E)-4,4,4-trifluoro-3-oxo-but-1-enyl]pyrrolidine-2-carboxamide
  • N-(3-chloro-4-fluoro-phenyl)-1-(4,4,4-trifluoro-3-oxo-but-1-enyl)pyrrolidine-2-carboxamide
  • N-(3-chloro-4-fluorophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-2-pyrrolidinecarboxamide
  • N-(3-chloro-4-fluorophenyl)-1-(4,4,4-trifluoro-3-oxobut-1-enyl)-2-pyrrolidinecarboxamide
  • N-(3-chloro-4-fluoro-phenyl)-1-(4,4,4-trifluoro-3-keto-but-1-enyl)pyrrolidine-2-carboxamide
  • N-(3-chloro-4-fluoro-phenyl)-1-[(E)-4,4,4-trifluoro-3-keto-but-1-enyl]pyrrolidine-2-carboxamide

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 cytochrome p450-like protein 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.004 1 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.004 1 1
Trypanosoma cruzi cytochrome P450, putative 0.004 1 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.004 1 1
Mycobacterium leprae putative cytochrome p450 0.004 1 0.5
Echinococcus granulosus cytochrome P450 2K1 0.004 1 1
Trypanosoma cruzi hypothetical protein 0.0012 0.196 0.196
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.3112 0.3112
Trypanosoma brucei p-glycoprotein 0.0016 0.3112 0.3112
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.004 1 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0031 0.7486 0.7486
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.004 1 1
Brugia malayi ABC transporter family protein 0.0026 0.6126 0.4375
Trypanosoma cruzi cytochrome p450-like protein, putative 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.004 1 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.004 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.004 1 1
Trypanosoma brucei ABC transporter, putative 0.0031 0.7486 0.7486
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.3112 0.3112
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.004 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 1 1
Plasmodium vivax ABC transporter G family member 2, putative 0.0031 0.7486 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0016 0.3112 0.1279
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.3112 0.0322
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0031 0.7486 0.7486
Loa Loa (eye worm) cytochrome P450 family protein 0.004 1 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.004 1 1
Leishmania major p-glycoprotein e 0.0016 0.3112 0.3112
Loa Loa (eye worm) CYP4Cod1 0.004 1 1
Trypanosoma cruzi cytochrome P450, putative 0.004 1 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.004 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0016 0.3112 0.3112
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0016 0.3112 0.3112
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.004 1 1
Plasmodium falciparum ABC transporter G family member 2 0.0031 0.7486 0.5
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.004 1 1
Brugia malayi cytochrome P450 0.004 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 1 1
Trypanosoma brucei ATP-binding cassette protein, putative 0.0031 0.7486 0.7486
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.004 1 1
Leishmania major ABC-thiol transporter 0.0016 0.3112 0.3112
Giardia lamblia ABC transporter 0.0031 0.7345 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.004 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0016 0.3112 0.3112
Brugia malayi Cytochrome P450 family protein 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.004 1 1
Echinococcus multilocularis 0.004 1 1
Loa Loa (eye worm) cytochrome P450 0.004 1 1
Leishmania major pentamidine resistance protein 1 0.0016 0.3112 0.3112
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.004 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0016 0.3112 0.3112
Entamoeba histolytica ABC transporter, putative 0.0031 0.7486 1
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0031 0.7486 0.7486
Trypanosoma brucei cytochrome P450, putative 0.004 1 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.004 1 1
Echinococcus multilocularis ATP binding cassette sub family G 0.0031 0.7486 0.6873
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0031 0.7486 0.7486
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.004 1 1
Echinococcus multilocularis ATP binding cassette sub family G 0.0031 0.7486 0.6873
Echinococcus granulosus multidrug resistance associated protein 1 0.0016 0.3112 0.1432
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 1 1
Schistosoma mansoni cytochrome P450 0.004 1 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.004 1 1
Giardia lamblia MRP-like ABC transporter 0.0016 0.3112 0.0322
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.004 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0016 0.3112 0.1432
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.004 1 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.004 1 1
Leishmania major cytochrome p450-like protein 0.004 1 1
Brugia malayi Cytochrome P450 family protein 0.004 1 1
Mycobacterium leprae Conserved hypothetical protein 0.004 1 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.004 1 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.004 1 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0031 0.7486 0.6351
Toxoplasma gondii cytochrome p450 superfamily protein 0.004 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.004 1 1
Schistosoma mansoni hypothetical protein 0.0026 0.5984 0.4171
Loa Loa (eye worm) hypothetical protein 0.0016 0.3112 0.1279
Loa Loa (eye worm) hypothetical protein 0.0015 0.2971 0.11
Echinococcus granulosus multidrug resistance associated protein 7 0.0016 0.3112 0.1432
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0016 0.3112 0.3112
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0016 0.3112 0.3112
Schistosoma mansoni ABC transporter 0.0026 0.6126 0.4375
Loa Loa (eye worm) ABC transporter 0.0026 0.6126 0.5095
Trypanosoma brucei multidrug resistance protein E 0.0016 0.3112 0.3112
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.004 1 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.004 1 1
Brugia malayi Cytochrome P450 family protein 0.004 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0016 0.3112 0.3112
Giardia lamblia ABC transporter, putative 0.0016 0.3112 0.0322
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.004 1 1
Echinococcus multilocularis ATP binding cassette sub family G 0.0031 0.7486 0.6873
Schistosoma mansoni hypothetical protein 0.004 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0016 0.3112 0.0322
Echinococcus granulosus ATP binding cassette sub family G 0.0031 0.7486 0.6873
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.004 1 1
Leishmania major cytochrome p450-like protein 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.3112 0.1279
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.004 1 1
Trypanosoma cruzi ABC transporter, putative 0.0031 0.7486 0.7486
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.004 1 1
Echinococcus granulosus ATP binding cassette sub family G 0.0031 0.7486 0.6873
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.004 1 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.004 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0016 0.3112 0.3112
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.004 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.004 1 1
Echinococcus granulosus ATP binding cassette sub family G 0.0031 0.7486 0.6873
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.004 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0016 0.3112 0.1432
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.004 1 1

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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