Detailed information for compound 2077734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.421 | Formula: C19H24F3N5O3
  • H donors: 1 H acceptors: 5 LogP: -0.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.Cn1ncc(c1)c1ncnc2c1CCN(CC2)CC1COCC1
  • InChi: 1S/C17H23N5O.C2HF3O2/c1-21-10-14(8-20-21)17-15-2-5-22(9-13-4-7-23-11-13)6-3-16(15)18-12-19-17;3-2(4,5)1(6)7/h8,10,12-13H,2-7,9,11H2,1H3;(H,6,7)
  • InChiKey: NXZLCSGKRZDRTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Giardia lamblia Transglutaminase/protease, putative 0.0116 0.1165 0.3479
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.0487
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0207 0.233 0.2296
Loa Loa (eye worm) hypothetical protein 0.0801 1 1
Schistosoma mansoni hypothetical protein 0.019 0.2112 0.1995
Echinococcus granulosus calpain 5 0.0075 0.0626 0.0487
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0207 0.233 0.2217
Giardia lamblia Cathepsin B precursor 0.0264 0.3075 1
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0626 0.164
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0801 1 1
Echinococcus multilocularis geminin 0.019 0.2112 0.2077
Mycobacterium tuberculosis Conserved protein 0.0116 0.1165 1
Echinococcus multilocularis hypothetical protein 0.0075 0.0626 0.0584
Echinococcus granulosus calpain A 0.0207 0.233 0.2217
Echinococcus multilocularis pyruvate kinase 0.0037 0.0146 0.0102
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0547 0.0407
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0801 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0801 1 1
Onchocerca volvulus 0.0116 0.1165 0.9208
Echinococcus granulosus cathepsin b 0.0801 1 1
Loa Loa (eye worm) cathepsin B 0.0264 0.3075 0.3075
Trypanosoma cruzi kinesin, putative 0.0052 0.0337 0.0194
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0547 0.0547
Echinococcus multilocularis cathepsin b 0.0801 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0626 0.0487
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0626 0.0487
Schistosoma mansoni peptidylglycine monooxygenase 0.0128 0.1312 0.1184
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0264 0.3075 1
Echinococcus granulosus tar DNA binding protein 0.0068 0.0547 0.0407
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0547 0.0407
Leishmania major kinesin, putative 0.0052 0.0337 0.0652
Loa Loa (eye worm) hypothetical protein 0.0146 0.1542 0.1542
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0626 0.164
Giardia lamblia Cathepsin B precursor 0.0264 0.3075 1
Schistosoma mansoni calpain (C02 family) 0.0075 0.0626 0.0487
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0264 0.3075 0.2972
Trypanosoma brucei kinesin, putative 0.0052 0.0337 0.0652
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0241 0.2768 0.2661
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0801 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0264 0.3075 1
Loa Loa (eye worm) calpain family protein 1 0.0146 0.1542 0.1542
Mycobacterium ulcerans putative transglutaminase-like protein 0.0116 0.1165 1
Chlamydia trachomatis pyruvate kinase 0.0037 0.0146 0.5
Toxoplasma gondii cathepsin B 0.0264 0.3075 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.1925 0.1925
Echinococcus multilocularis Transglutaminase 0.0116 0.1165 0.1126
Mycobacterium ulcerans hypothetical protein 0.0116 0.1165 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.2215 0.2215
Giardia lamblia Cathepsin B precursor 0.0264 0.3075 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0264 0.3075 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0233 0.0088
Schistosoma mansoni hypothetical protein 0.019 0.2112 0.1995
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.1165 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0801 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0233 0.0088
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0065 0.05 0.036
Brugia malayi calpain 5 0.0052 0.0337 0.0194
Echinococcus multilocularis cathepsin b 0.0801 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.1165 1
Schistosoma mansoni hypothetical protein 0.0116 0.1165 0.1034
Mycobacterium tuberculosis Hypothetical protein 0.0116 0.1165 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0547 0.0407
Trichomonas vaginalis peptide N-glycanase, putative 0.0116 0.1165 0.3479
Trypanosoma cruzi kinesin, putative 0.0052 0.0337 0.0194
Giardia lamblia Hypothetical protein 0.0116 0.1165 0.3479
Mycobacterium ulcerans hypothetical protein 0.0116 0.1165 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0547 0.0407
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0207 0.233 0.2217
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.164
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0547 0.0407
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0241 0.2768 0.2661
Brugia malayi RNA binding protein 0.0068 0.0547 0.0407
Loa Loa (eye worm) calpain 0.0075 0.0626 0.0626
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0547 0.0505
Schistosoma mansoni Mername-AA248 (C02 family) 0.0075 0.0626 0.0487
Mycobacterium ulcerans transglutaminase family protein 0.0116 0.1165 1
Echinococcus granulosus geminin 0.019 0.2112 0.1995
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0198 0.2215 0.21
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.0487
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0233 0.0189
Echinococcus granulosus calpain 0.0075 0.0626 0.0487
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1162 0.1162
Brugia malayi Thioredoxin family protein 0.0116 0.1165 0.1034
Entamoeba histolytica calpain large subunit domain III containing protein 0.0052 0.0337 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0233 0.0088
Mycobacterium leprae Conserved hypothetical protein 0.0116 0.1165 1
Onchocerca volvulus 0.0123 0.1253 1
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0146 0.0146
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.164
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0241 0.2768 0.2735
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0465 0.5666 0.5666
Loa Loa (eye worm) calpain 5 0.0052 0.0337 0.0337
Echinococcus granulosus calpain 7 C02 family 0.0075 0.0626 0.0487
Schistosoma mansoni dopamine-beta-monooxygenase 0.0128 0.1312 0.1184
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0233 0.0088
Loa Loa (eye worm) hypothetical protein 0.0128 0.1312 0.1312
Plasmodium vivax calpain, putative 0.0075 0.0626 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0264 0.3075 0.2972
Echinococcus granulosus cathepsin b 0.0801 1 1
Brugia malayi calpain 7 0.0075 0.0626 0.0487
Echinococcus multilocularis calpain family protein 1, d 0.0146 0.1542 0.1504
Loa Loa (eye worm) hypothetical protein 0.0123 0.1253 0.1253
Brugia malayi MH2 domain containing protein 0.0116 0.1162 0.1031
Trypanosoma brucei antigen, putative 0.0075 0.0626 0.164
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0146 0.0146
Echinococcus multilocularis calpain A 0.0207 0.233 0.2296
Echinococcus granulosus calpain A 0.0075 0.0626 0.0487
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0233 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0233 0.0088
Mycobacterium leprae Conserved hypothetical protein 0.0116 0.1165 1
Brugia malayi calpain family protein 1 0.0198 0.2215 0.21
Echinococcus multilocularis calpain 0.0075 0.0626 0.0584
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.164
Loa Loa (eye worm) hypothetical protein 0.0037 0.0146 0.0146
Schistosoma mansoni calpain-7 (C02 family) 0.0075 0.0626 0.0487
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.164
Schistosoma mansoni microtubule-associated protein tau 0.0773 0.9633 0.9627
Entamoeba histolytica protein kinase, putative 0.0052 0.0337 1
Brugia malayi TAR-binding protein 0.0068 0.0547 0.0407
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0547 0.0407
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0128 0.1312 0.1184
Echinococcus multilocularis calpain 5 0.0075 0.0626 0.0584
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0626 0.0487
Plasmodium falciparum pyruvate kinase 0.0037 0.0146 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0241 0.2768 0.2661
Echinococcus multilocularis pyruvate kinase 0.0037 0.0146 0.0102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0233 0.0189
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0626 0.164
Loa Loa (eye worm) calpain family protein 1 0.0198 0.2215 0.2215
Loa Loa (eye worm) RNA binding protein 0.0068 0.0547 0.0547
Schistosoma mansoni calpain-7 (C02 family) 0.0075 0.0626 0.0487
Trypanosoma brucei calpain-like protein, putative 0.0075 0.0626 0.164
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.0487
Brugia malayi calpain family protein 1 0.0198 0.2215 0.21
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0063 0.0476 0.0335
Echinococcus multilocularis microtubule associated protein 2 0.0773 0.9633 0.9631
Loa Loa (eye worm) hypothetical protein 0.0241 0.2768 0.2768
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0626 0.0487
Brugia malayi Angiotensin-converting enzyme family protein 0.0465 0.5666 0.5602
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0547 0.0547
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0075 0.0626 0.0487
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0207 0.233 0.2217
Schistosoma mansoni calpain C (C02 family) 0.0075 0.0626 0.0487
Mycobacterium tuberculosis Long conserved protein 0.0116 0.1165 1
Echinococcus multilocularis calpain 7 (C02 family) 0.0075 0.0626 0.0584
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0075 0.0626 0.0487
Echinococcus granulosus microtubule associated protein 2 0.0773 0.9633 0.9627
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0075 0.0626 0.164
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0233 0.0233
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0075 0.0626 0.0487
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0146 0.0146
Echinococcus granulosus Transglutaminase 0.0116 0.1165 0.1034
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1162 0.1162

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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