Detailed information for compound 1497596

Basic information

Technical information
  • TDR Targets ID: 1497596
  • Name: 2-pentan-3-yl-1H-quinazolin-4-one
  • MW: 216.279 | Formula: C13H16N2O
  • H donors: 1 H acceptors: 3 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1nc2ccccc2c(n1)O)CC
  • InChi: 1S/C13H16N2O/c1-3-9(4-2)12-14-11-8-6-5-7-10(11)13(16)15-12/h5-9H,3-4H2,1-2H3,(H,14,15,16)
  • InChiKey: DGZCUHOYKJKTSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-ethylpropyl)-1H-quinazolin-4-one
  • ZINC00122275
  • ST5014277
  • 2-(1-Ethyl-propyl)-quinazolin-4-ol
  • BAS 02780991
  • MLS000714692
  • SMR000274671
  • AF-399/37419011

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.1567 0.1567
Echinococcus multilocularis dna polymerase eta 0.0023 0.3806 0.3806
Brugia malayi polk-prov protein 0.0007 0.0689 0.0689
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.1567 0.1567
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0012 0.1567 0.4118
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.3806 0.3806
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Loa Loa (eye worm) hypothetical protein 0.0023 0.3806 0.3806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1543 0.1543
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0689 0.1811
Schistosoma mansoni smdr2 0.0012 0.1567 0.1567
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.1567 0.4118
Loa Loa (eye worm) hypothetical protein 0.0012 0.1567 0.1567
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0012 0.1567 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0689 0.1811
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.1567 0.4118
Schistosoma mansoni DNA polymerase eta 0.0023 0.3806 0.3806
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Trichomonas vaginalis abcb9, putative 0.0012 0.1567 0.4118
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0689 0.4397
Onchocerca volvulus 0.0012 0.1567 0.5
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0689 0.4397
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3806 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0012 0.1567 0.1567
Entamoeba histolytica P-glycoprotein-2 0.0012 0.1567 0.4118
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0689 0.1811
Trichomonas vaginalis ABC transporter, putative 0.0012 0.1567 0.4118
Leishmania major DNA polymerase kappa, putative 0.0007 0.0689 0.1811
Echinococcus granulosus dna polymerase eta 0.0023 0.3806 0.3806
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0689 0.1811
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0012 0.1543 0.1543
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.3806 1
Brugia malayi ABC transporter family protein 0.0012 0.1567 0.1567
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0689 0.1811
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.1567 0.1567
Loa Loa (eye worm) multidrug resistance protein 3 0.0012 0.1567 0.1567
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Entamoeba histolytica P-glyco protein 6, putative 0.0012 0.1567 0.4118
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.3806 0.3806
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0689 0.4397
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.3806 1
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0689 0.1811
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.1567 0.4118
Entamoeba histolytica P-glycoprotein-2, putative 0.0012 0.1567 0.4118
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0689 0.1811
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3806 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Echinococcus multilocularis multidrug resistance protein 1 0.0008 0.0879 0.0879
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3806 1
Entamoeba histolytica P-glycoprotein-5 0.0012 0.1567 0.4118
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0689 0.4397
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Brugia malayi multidrug resistance protein 3 0.0012 0.1567 0.1567
Trichomonas vaginalis taga, putative 0.0012 0.1567 0.4118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0879 0.0879
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.1567 0.1567
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Trypanosoma brucei unspecified product 0.0016 0.2404 0.6314
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.1567 0.1567
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3806 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.1567 0.1567
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.1567 0.1567
Trypanosoma brucei unspecified product 0.0016 0.2404 0.6314
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0012 0.1567 0.4118
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.3806 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3806 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2404 0.6314
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.1567 0.1567
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.3806 0.3806
Trichomonas vaginalis abcb9, putative 0.0012 0.1567 0.4118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Giardia lamblia DNA damage repair protein 0.0007 0.0689 0.1811
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0689 0.0689
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.1567 0.4118
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3806 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.1567 0.1567
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0004 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.3806 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0012 0.1567 0.4118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3806 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0689 0.1811
Mycobacterium ulcerans hypothetical protein 0.0007 0.0689 0.1811
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.1567 0.1567
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.1567 0.1567
Schistosoma mansoni multidrug resistance protein 0.0012 0.1567 0.1567
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0689 0.4397
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3806 1
Entamoeba histolytica P-glycoprotein-1 0.0012 0.1567 0.4118
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.3806 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2404 0.6314
Schistosoma mansoni multidrug resistance protein 0.0012 0.1567 0.1567
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.3806 0.3806
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0012 0.1567 0.5
Leishmania major DNA polymerase eta, putative 0.0007 0.0689 0.1811
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.3806 0.3806
Loa Loa (eye worm) hypothetical protein 0.0012 0.1567 0.1567
Trypanosoma brucei unspecified product 0.0023 0.3806 1
Echinococcus granulosus multidrug resistance protein 1 0.0008 0.0879 0.0879
Trichomonas vaginalis ABC transporter, putative 0.0012 0.1567 0.4118
Schistosoma mansoni multidrug resistance protein 0.0012 0.1567 0.1567
Echinococcus multilocularis ATP binding cassette sub family B 0.0012 0.1543 0.1543
Trichomonas vaginalis ABC transporter, putative 0.0012 0.1567 0.4118
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0689 0.1811
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.1567 0.4118
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3806 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0004 0 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0004 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.3806 0.3806
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.1567 0.4118
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.3806 0.3806
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.3806 0.3806
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.1567 0.4118
Leishmania major p-glycoprotein 0.0012 0.1567 0.4118
Giardia lamblia DINP protein human, muc B family 0.0023 0.3806 1
Entamoeba histolytica P-glycoprotein-2 0.0012 0.1567 0.4118
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.3806 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Leishmania major DNA polymerase eta, putative 0.0023 0.3806 1
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.1567 0.1567
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.1567 0.4118
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.1567 0.1567
Echinococcus multilocularis dna polymerase kappa 0.0023 0.3806 0.3806
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0012 0.1567 1
Plasmodium falciparum multidrug resistance protein 1 0.0012 0.1567 1
Trichomonas vaginalis ABC transporter, putative 0.0012 0.1567 0.4118
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0689 0.1811
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3806 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0689 0.1811
Trichomonas vaginalis abcb9, putative 0.0012 0.1567 0.4118
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.2404 0.6314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0012 0.1567 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.3806 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0689 0.0689
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.3806 1
Leishmania major DNA damage repair protein, putative 0.0007 0.0689 0.1811
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.3806 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0008 0.0879 0.2308
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0689 0.1811
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.1567 0.1567
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.1567 0.4118

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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