Detailed information for compound 1493632

Basic information

Technical information
  • TDR Targets ID: 1493632
  • Name: 5,6-dimethyl-2-[(4,6,8-trimethylquinazolin-2- yl)amino]-1H-pyrimidin-4-one
  • MW: 309.366 | Formula: C17H19N5O
  • H donors: 2 H acceptors: 5 LogP: 3.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)c(C)nc(n2)Nc1nc(C)c(c(n1)O)C
  • InChi: 1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)
  • InChiKey: ZQNLHQMVYUYLMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,6-dimethyl-2-[(4,6,8-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one
  • Oprea1_668777
  • EU-0045759
  • Oprea1_482207
  • 5,6-Dimethyl-2-(4,6,8-trimethylquinazolin-2-ylamino)-1H-pyrimidin-4-one
  • STK009843
  • 5,6-Dimethyl-2-(4,6,8-trimethyl-quinazolin-2-ylamino)-1H-pyrimidin-4-one
  • BAS 03450409
  • ZINC00317128

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens signal transducer and activator of transcription 3 (acute-phase response factor) Starlite/ChEMBL References

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
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0807 0.6879
Echinococcus multilocularis geminin 0.0195 0.1173 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0797 0.5608 0.5574
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.0613 0.0501
Brugia malayi Cytochrome P450 family protein 0.0107 0.0518 0.0518
Brugia malayi Cytochrome P450 family protein 0.0047 0.0077 0.0077
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.0712 0.06
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.045 0.3051 1
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0077 0.0251
Brugia malayi glutathione reductase 0.0052 0.0119 0.0119
Brugia malayi STAT protein, DNA binding domain containing protein 0.0191 0.1137 0.1137
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.1393 1 1
Treponema pallidum pyruvate oxidoreductase 0.0203 0.1226 0.5
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.1393 1 1
Trypanosoma brucei trypanothione reductase 0.0052 0.0119 0.0388
Echinococcus multilocularis muscleblind protein 0.0146 0.0807 0.6879
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0119 0.101
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0203 0.1226 1
Brugia malayi Muscleblind-like protein 0.0146 0.0807 0.0807
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.1393 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0077 0.0129
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.045 0.3051 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.1393 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.0712 0.06
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0248 0.1557 0.1006
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0248 0.1557 0.1492
Loa Loa (eye worm) STAT protein 0.0191 0.1137 0.1912
Onchocerca volvulus 0.0095 0.043 0.5
Mycobacterium ulcerans hypothetical protein 0.1393 1 1
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0797 0.5608 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0107 0.0518 0.0871
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0101 0.0101
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.0939 0.0939
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0119 0.0199
Mycobacterium ulcerans acetolactate synthase 0.0797 0.5608 0.5574
Mycobacterium ulcerans hypothetical protein 0.045 0.3051 0.2997
Loa Loa (eye worm) hypothetical protein 0.005 0.0101 0.017
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.0939 0.8003
Schistosoma mansoni alpha-glucosidase 0.0141 0.0771 0.0906
Echinococcus granulosus geminin 0.0195 0.1173 1
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0203 0.1226 0.1158
Toxoplasma gondii thioredoxin reductase 0.0052 0.0119 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Brugia malayi Thioredoxin reductase 0.0052 0.0119 0.0119
Leishmania major cytochrome p450-like protein 0.0047 0.0077 0.0137
Loa Loa (eye worm) hypothetical protein 0.0146 0.0807 0.1356
Schistosoma mansoni alpha-glucosidase 0.0141 0.0771 0.0906
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0119 0.0388
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0797 0.5608 0.5574
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.0613 0.0501
Loa Loa (eye worm) glutathione reductase 0.0052 0.0119 0.0199
Mycobacterium tuberculosis Probable reductase 0.012 0.0613 0.0501
Echinococcus granulosus muscleblind protein 0.0146 0.0807 0.6879
Plasmodium falciparum acyl-CoA synthetase 0.0797 0.5608 1
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0203 0.1226 0.5
Schistosoma mansoni hypothetical protein 0.0195 0.1173 0.1379
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.0613 0.0501
Schistosoma mansoni acetolactate synthase 0.119 0.8506 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.045 0.3051 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0101 0.0101
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0798 0.5618 0.9443
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0203 0.1226 0.1121
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0077 0.0251
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.1393 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.0939 0.1578
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.0712 0.06
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.0613 0.0501
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.0939 0.8003
Schistosoma mansoni hypothetical protein 0.0195 0.1173 0.1379
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.1393 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0077 0.0129
Loa Loa (eye worm) hypothetical protein 0.0146 0.0807 0.1356
Loa Loa (eye worm) CYP4Cod1 0.0047 0.0077 0.0129
Leishmania major trypanothione reductase 0.0052 0.0119 0.0211
Schistosoma mansoni acetolactate synthase 0.119 0.8506 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0596 0.4124 0.4054
Loa Loa (eye worm) ILVBL protein 0.0843 0.595 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.0939 0.8003
Trypanosoma brucei cytochrome P450, putative 0.0047 0.0077 0.0251
Plasmodium vivax acyl-CoA synthetase, putative 0.0797 0.5608 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.045 0.3051 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0203 0.1226 1
Leishmania major phosphonopyruvate decarboxylase-like protein 0.045 0.3051 0.544
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.0712 0.0105
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0101 0.017
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.0613 0.0501
Brugia malayi Cytochrome P450 family protein 0.0047 0.0077 0.0077
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0119 0.101

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.4 uM Inhibition of IL-6-induced STAT3 phosphorylation in human Cal33 cells assessed as nuclear translocation by Western blot analysis ChEMBL. 25288188
IC50 (binding) > 50 uM Inhibition of IFNgamma-induced STAT1 phosphorylation in human Cal33 cells by Western blot analysis ChEMBL. 25288188
IC50 (binding) > 100 uM Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis ChEMBL. 19364854

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.