Detailed information for compound 1218664

Basic information

Technical information
  • TDR Targets ID: 1218664
  • Name: 4-(3-methylbenzoyl)-3-propyl-1,3-dihydroquino xalin-2-one
  • MW: 308.374 | Formula: C19H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1C(=O)Nc2c(N1C(=O)c1cccc(c1)C)cccc2
  • InChi: 1S/C19H20N2O2/c1-3-7-17-18(22)20-15-10-4-5-11-16(15)21(17)19(23)14-9-6-8-13(2)12-14/h4-6,8-12,17H,3,7H2,1-2H3,(H,20,22)
  • InChiKey: WGYXPTICMYKQFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(3-methylphenyl)-oxomethyl]-3-propyl-1,3-dihydroquinoxalin-2-one
  • 4-(3-methylphenyl)carbonyl-3-propyl-1,3-dihydroquinoxalin-2-one
  • MS-2199

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
Schistosoma mansoni tar DNA-binding protein 0.0255 0.2892 0.6798
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0032 0.0022
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0079 0.0163
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.2046 1
Echinococcus multilocularis Smad4 0.0017 0.0032 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0455 0.1049
Trypanosoma brucei ISWI complex protein 0.0017 0.0026 0.3322
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0014 0.0004
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0014 0.001
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0079 1
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0455 0.1049
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0079 0.0069
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0613 0.1423
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 1
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0016 0.0014 0.001
Schistosoma mansoni smad1 5 8 and 0.0017 0.0032 0.0051
Loa Loa (eye worm) hypothetical protein 0.0033 0.0226 0.0509
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0542 0.1255
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0049 0.0093
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0016 0.0014 0.001
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0032 0.0051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0367 0.4249 0.4244
Schistosoma mansoni zinc finger protein 0.0017 0.0026 0.0039
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0299 0.0289
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0542 0.1255
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0049 0.0093
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0014 0.001
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0014 0.001
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.287 0.6747
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.001
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 1
Brugia malayi Bromodomain containing protein 0.0082 0.0816 0.19
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0058 0.0112
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0032 0.0051
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0122 0.0264
Leishmania major DNA polymerase eta, putative 0.0021 0.0079 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0079 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0455 0.0445
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0412 0.0947
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0079 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0049 0.0093
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0122 0.0264
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0079 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0455 0.2168
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0079 0.5
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0014 0.001
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0016 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0023 0.0097 0.0205
Schistosoma mansoni hypothetical protein 0.0318 0.3657 0.8604
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0299 0.0682
Loa Loa (eye worm) MBCTL1 0.006 0.0542 0.1255
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0016 0.0014 0.001
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0079 0.0163
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0079 0.0163
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0014 0.0004
Brugia malayi MH1 domain containing protein 0.0017 0.0032 0.0051
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0613 0.0604
Brugia malayi MH2 domain containing protein 0.0253 0.287 0.6747
Brugia malayi PHD-finger family protein 0.0027 0.0153 0.0338
Schistosoma mansoni hypothetical protein 0.0343 0.396 0.9319
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0367 0.4249 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0079 0.0163
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0032 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0079 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Brugia malayi N-terminal motif family protein 0.0184 0.2046 0.4802
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0049 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0163
Trypanosoma brucei unspecified product 0.0021 0.0079 1
Echinococcus multilocularis tar DNA binding protein 0.0255 0.2892 0.2885
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0367 0.4249 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0122 0.0112
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0014 0.001
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0014 0.001
Brugia malayi G-protein alpha subunit 0.0016 0.0014 0.001
Echinococcus multilocularis expressed protein 0.0016 0.0014 0.0004
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.001
Echinococcus granulosus Smad4 0.0017 0.0032 0.0051
Echinococcus granulosus expressed protein 0.0016 0.0014 0.001
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0014 0.001
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.2309 0.2301
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0079 0.0163
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0079 0.0069
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0032 0.0051
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0097 0.0205
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0032 0.0022
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0079 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0226 0.0509
Brugia malayi hypothetical protein 0.0016 0.0014 0.001
Echinococcus granulosus zinc finger protein 0.0021 0.0083 0.0172
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0032 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Schistosoma mansoni tar DNA-binding protein 0.0255 0.2892 0.6798
Echinococcus granulosus dna polymerase eta 0.0021 0.0079 0.0163
Brugia malayi RNA recognition motif domain containing protein 0.0255 0.2892 0.6798
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0049 0.0093
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0014 0.001
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0017 0.0026 0.0039
Brugia malayi RNA binding protein 0.0255 0.2892 0.6798
Schistosoma mansoni Smad4 0.0017 0.0032 0.0051
Schistosoma mansoni hypothetical protein 0.0033 0.0226 0.0509
Brugia malayi MH1 domain containing protein 0.0017 0.0032 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0367 0.4249 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0331 0.0758
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0412 0.0947
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0455 0.1049
Echinococcus multilocularis dna polymerase eta 0.0021 0.0079 0.0069
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0014 0.001
Loa Loa (eye worm) TAR-binding protein 0.0255 0.2892 0.6798
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0016 0.0014 0.001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0367 0.4249 0.4244
Schistosoma mansoni tar DNA-binding protein 0.0255 0.2892 0.6798
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0079 0.5
Loa Loa (eye worm) RNA binding protein 0.0255 0.2892 0.6798
Schistosoma mansoni hypothetical protein 0.0343 0.396 0.9319
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0079 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0014 0.001
Echinococcus multilocularis zinc finger protein 0.0021 0.0083 0.0073
Brugia malayi TAR-binding protein 0.0255 0.2892 0.6798
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0542 0.1255
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0542 0.0532
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0079 0.0163
Onchocerca volvulus 0.0052 0.0455 0.2168
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0016 0.0014 0.001
Echinococcus multilocularis geminin 0.0343 0.396 0.3954
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0016 0.0014 0.0004
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0016 0.0014 0.001
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0079 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.2046 0.4802
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0014 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0412 0.0947
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0079 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0049 0.004
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0455 0.0445
Schistosoma mansoni bromodomain containing protein 0.0069 0.0661 0.1535
Schistosoma mansoni smad 0.0017 0.0032 0.0051
Echinococcus multilocularis smad 0.0017 0.0032 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0255 0.2892 0.6798
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0014 0.0004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0367 0.4249 1
Loa Loa (eye worm) Smad1 0.0017 0.0032 0.0051
Schistosoma mansoni DNA polymerase eta 0.0021 0.0079 0.0163
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0367 0.4249 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0455 0.1049
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0079 0.0163
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0079 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0388 0.0891
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0016 0.0014 0.001
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0049 0.0093
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0455 0.1049
Echinococcus granulosus smad 0.0017 0.0032 0.0051
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0455 0.1049
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0016 0.0014 0.001
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0079 1
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0014 0.001
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0542 0.0532
Echinococcus granulosus tar DNA binding protein 0.0255 0.2892 0.6798
Loa Loa (eye worm) hypothetical protein 0.0078 0.0759 0.1767
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0367 0.4249 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0255 0.2892 0.6798
Brugia malayi Bromodomain containing protein 0.0042 0.033 0.0756
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0016 0.0014 0.001
Brugia malayi mbt repeat family protein 0.0052 0.0455 0.1049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0367 0.4249 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.2309 0.5423
Schistosoma mansoni smad1 5 8 and 0.0017 0.0032 0.0051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.001
Schistosoma mansoni smad1 5 8 and 0.0017 0.0032 0.0051
Brugia malayi MH2 domain containing protein 0.0017 0.0032 0.0051
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0542 0.1255
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0049 0.0093
Leishmania major DNA polymerase kappa, putative 0.0021 0.0079 1
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0016 0.0014 0.001
Schistosoma mansoni zinc finger protein 0.0021 0.0083 0.0172
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0014 0.001
Brugia malayi mbt repeat family protein 0.0052 0.0455 0.1049
Loa Loa (eye worm) hypothetical protein 0.006 0.0542 0.1255
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0079 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0363 0.0832
Loa Loa (eye worm) hypothetical protein 0.0049 0.0412 0.0947
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.001
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0014 0.001
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0016 0.0014 0.001
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0049 0.004
Brugia malayi Smad1 0.0017 0.0032 0.0051
Brugia malayi MH2 domain containing protein 0.0017 0.0032 0.0051
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.287 0.6747
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0014 0.001
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0079 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0079 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0455 0.1049
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0079 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0014 0.0004
Echinococcus granulosus geminin 0.0343 0.396 0.9319
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0016 0.0014 0.001
Schistosoma mansoni tar DNA-binding protein 0.0255 0.2892 0.6798
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0014 0.001
Loa Loa (eye worm) G protein alpha subunit 3 0.0016 0.0014 0.001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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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