Detailed information for compound 687021

Basic information

Technical information
  • TDR Targets ID: 687021
  • Name: N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl) phenyl]pentanamide
  • MW: 353.39 | Formula: C20H20FN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)Nc1cc(ccc1F)n1c(C)nc2c(c1=O)cccc2
  • InChi: 1S/C20H20FN3O2/c1-3-4-9-19(25)23-18-12-14(10-11-16(18)21)24-13(2)22-17-8-6-5-7-15(17)20(24)26/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25)
  • InChiKey: OQUDSLQCNJBIOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]pentanamide
  • N-[2-fluoro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]pentanamide
  • N-[2-fluoro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]valeramide
  • ZINC05259112

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
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0703 0.3193
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0238 0.0021
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0238 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2283 0.2101
Loa Loa (eye worm) hypothetical protein 0.0031 0.1105 0.0895
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.4219 0.4219
Echinococcus multilocularis pyruvate kinase 0.0038 0.1711 0.1516
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus granulosus pyruvate kinase 0.0038 0.1711 0.1516
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0991 0.5135
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1265 0.106
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3503 0.3503
Schistosoma mansoni pyruvate kinase 0.0038 0.1711 0.3367
Loa Loa (eye worm) hypothetical protein 0.0027 0.0806 0.059
Loa Loa (eye worm) hypothetical protein 0.005 0.2613 0.2439
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0991 0.0779
Plasmodium falciparum pyruvate kinase 0.0038 0.1711 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2283 0.2101
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.1711 0.3782
Echinococcus multilocularis GPCR, family 2 0.0033 0.1265 0.106
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1993 0.4501
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0238 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus multilocularis chromobox protein 1 0.007 0.4147 0.4009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1265 0.106
Loa Loa (eye worm) hypothetical protein 0.0039 0.1762 0.1568
Trypanosoma brucei pyruvate kinase 1 0.0038 0.1711 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0238 0.0142
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.6158 0.6067
Echinococcus multilocularis dna polymerase eta 0.002 0.0238 0.0008
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3503 0.335
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus granulosus GPCR family 2 0.0033 0.1265 0.106
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0874 0.1643
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2283 0.2101
Leishmania major pyruvate kinase 0.0038 0.1711 1
Echinococcus multilocularis pyruvate kinase 0.002 0.0255 0.0026
Echinococcus granulosus dna polymerase eta 0.002 0.0238 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2283 0.2101
Echinococcus multilocularis pyruvate kinase 0.002 0.0255 0.0026
Loa Loa (eye worm) hypothetical protein 0.002 0.0238 0.0008
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0238 0.0008
Loa Loa (eye worm) hypothetical protein 0.0104 0.6765 0.6689
Trypanosoma brucei unspecified product 0.002 0.0238 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus granulosus pyruvate kinase 0.002 0.0255 0.0026
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.1711 0.1711
Mycobacterium ulcerans pyruvate kinase 0.0038 0.1711 1
Echinococcus multilocularis muscleblind protein 0.0145 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0991 0.0779
Trichomonas vaginalis chromobox protein, putative 0.007 0.4147 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3503 0.7441
Giardia lamblia Pyruvate kinase 0.002 0.0255 0.017
Leishmania major pyruvate kinase 0.0038 0.1711 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Echinococcus granulosus pyruvate kinase 0.0038 0.1711 0.1516
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3503 0.335
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.3409 0.3254
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0874 0.1643
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.6765 0.6765
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1711 0.1516
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1993 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3503 0.7441
Brugia malayi PHD-finger family protein 0.0029 0.0991 0.0991
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0238 0.0055
Loa Loa (eye worm) hypothetical protein 0.0038 0.1711 0.1516
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3503 0.335
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1265 0.1265
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.1711 1
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.4147 0.4009
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.1711 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0238 0.0019
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.188 0.1689
Loa Loa (eye worm) hypothetical protein 0.0026 0.0703 0.0484
Echinococcus granulosus dna polymerase kappa 0.002 0.0238 0.0008
Plasmodium vivax pyruvate kinase, putative 0.0038 0.1711 1
Echinococcus granulosus chromobox protein 1 0.007 0.4147 0.4009
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1265 0.106
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0238 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3503 0.7441
Echinococcus multilocularis pyruvate kinase 0.002 0.0255 0.0026
Loa Loa (eye worm) hypothetical protein 0.0029 0.0991 0.0779
Schistosoma mansoni hypothetical protein 0.0071 0.4219 0.9068
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0238 0.0055
Schistosoma mansoni hypothetical protein 0.0033 0.1265 0.2353
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0806 0.059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2283 0.4667
Schistosoma mansoni hypothetical protein 0.0033 0.1265 0.2353
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0703 0.3193
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.1468 0.1268
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.1468 0.1268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2283 0.2283
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0238 0.0019
Brugia malayi Bromodomain containing protein 0.0029 0.0991 0.0991
Loa Loa (eye worm) RNA binding protein 0.0062 0.3503 0.335
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0238 0.0055
Leishmania major hypothetical protein, conserved 0.0026 0.0703 0.3193
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.6765 0.6765
Echinococcus multilocularis pyruvate kinase 0.0038 0.1711 0.1516
Echinococcus granulosus pyruvate kinase 0.002 0.0255 0.0026
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1711 0.719
Schistosoma mansoni DNA polymerase eta 0.002 0.0238 0.0019
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0703 0.3193
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1762 0.7695
Brugia malayi TAR-binding protein 0.0062 0.3503 0.3503
Schistosoma mansoni pyruvate kinase 0.002 0.0255 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.023 0.5
Leishmania major DNA polymerase eta, putative 0.002 0.0238 0.0055
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.1468 0.1268
Brugia malayi RNA binding protein 0.0062 0.3503 0.3503
Echinococcus granulosus pyruvate kinase 0.002 0.0255 0.0026
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0238 0.0055
Echinococcus multilocularis pyruvate kinase 0.003 0.1081 0.0871
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0238 0.0008
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0991 0.0779
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2283 0.2101
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0991 0.5135
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.1711 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1993 0.4501
Schistosoma mansoni jumonji domain containing protein 0.0076 0.4629 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0238 0.0055
Giardia lamblia DINP protein human, muc B family 0.002 0.0238 0.0055
Echinococcus multilocularis peregrin 0.0029 0.0991 0.0779
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2283 0.4667
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1711 0.1516
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.1711 0.3782
Onchocerca volvulus 0.0031 0.1105 0.1137
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1468 0.2816
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3503 0.7441
Brugia malayi Heterochromatin protein 1 0.007 0.4147 0.4147
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0238 0.0238
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.1711 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.6158 0.6067
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0806 1
Plasmodium falciparum pyruvate kinase 2 0.002 0.0255 0.017
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.0255 0.017
Echinococcus granulosus chromobox protein 1 0.007 0.4147 0.4009
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0238 0.0238
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1762 0.3911
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.1711 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0991 0.1729
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.1711 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1265 0.1265
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1711 0.719
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0703 0.3193
Giardia lamblia Pyruvate kinase 0.0038 0.1711 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0238 0.0008
Trichomonas vaginalis chromobox protein, putative 0.007 0.4147 1
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.1711 0.719
Schistosoma mansoni hypothetical protein 0.0033 0.1265 0.2353
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Chlamydia trachomatis pyruvate kinase 0.0038 0.1711 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0238 0.0055
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1265 0.106
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.0255 0.017
Schistosoma mansoni chromobox protein 0.007 0.4147 0.8904
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0703 0.3193
Loa Loa (eye worm) hypothetical protein 0.0033 0.1265 0.106
Brugia malayi hypothetical protein 0.0026 0.0703 0.0703
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0238 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1762 0.3911
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0238 0.0055
Echinococcus multilocularis chromobox protein 1 0.007 0.4147 0.4009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3503 0.7441
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2283 0.4667
Echinococcus multilocularis dna polymerase kappa 0.002 0.0238 0.0008
Brugia malayi jmjC domain containing protein 0.0096 0.6158 0.6158
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.023 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.1265 0.2353
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.023 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Giardia lamblia PHD finger protein 15 0.0029 0.0991 0.5135
Schistosoma mansoni pyruvate kinase 0.0038 0.1711 0.3367
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0238 0.0055
Loa Loa (eye worm) pyruvate kinase 0.0038 0.1711 0.1516
Echinococcus granulosus tar DNA binding protein 0.0062 0.3503 0.335
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.1711 0.1711
Loa Loa (eye worm) hypothetical protein 0.0071 0.4219 0.4083
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.6765 0.6689
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1265 0.106
Schistosoma mansoni chromobox protein 0.007 0.4147 0.8904
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0238 0.0055
Echinococcus granulosus peregrin 0.0029 0.0991 0.0779
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0703 0.3193
Brugia malayi chromobox protein homolog 3 0.0039 0.1762 0.1762
Echinococcus granulosus muscleblind protein 0.0145 1 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0238 0.0055
Brugia malayi jmjC domain containing protein 0.0035 0.1468 0.1468
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0991 0.5135
Echinococcus granulosus jumonji domain containing protein 0.0041 0.188 0.1689
Schistosoma mansoni hypothetical protein 0.0029 0.0991 0.1729
Echinococcus multilocularis muscleblind protein 1 0.0145 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0238 0.0055
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1468 0.2816
Plasmodium falciparum phd finger protein, putative 0.0029 0.0991 0.5135
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0703 0.3193

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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