Detailed information for compound 1281748

Basic information

Technical information
  • TDR Targets ID: 1281748
  • Name: 8-cyclopropyl-6-methyl-2-morpholin-4-ylpterid in-7-one
  • MW: 287.317 | Formula: C14H17N5O2
  • H donors: 0 H acceptors: 3 LogP: 0.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2cnc(nc2n(c1=O)C1CC1)N1CCOCC1
  • InChi: 1S/C14H17N5O2/c1-9-13(20)19(10-2-3-10)12-11(16-9)8-15-14(17-12)18-4-6-21-7-5-18/h8,10H,2-7H2,1H3
  • InChiKey: WIADBVVNKACMQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-cyclopropyl-6-methyl-2-morpholino-pteridin-7-one
  • 8-cyclopropyl-6-methyl-2-morpholino-7-pteridinone
  • 8-cyclopropyl-6-methyl-2-morpholin-4-yl-pteridin-7-one
  • NCGC00010802
  • PCOP-269901

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0429 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0429 0.0236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2501 0.2518
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0692 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1344 0.1353
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0692 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0429 0.0236
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0429 1
Onchocerca volvulus 0.0157 0.9933 0.5
Brugia malayi hypothetical protein 0.0017 0.0037 0.0037
Mycobacterium ulcerans L-lysine aminotransferase 0.0022 0.0429 0.0236
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0692 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1344 0.1353
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0158 1 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0197 0.0198
Brugia malayi hypothetical protein 0.0157 0.9933 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0197 0.0198
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0429 0.0431
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0429 0.0236
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0429 0.3189
Loa Loa (eye worm) hypothetical protein 0.0026 0.0692 0.0697
Leishmania major hypothetical protein, conserved 0.0026 0.0692 1
Mycobacterium ulcerans hypothetical protein 0.0158 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0197 0.0198
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0429 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0429 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0692 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0158 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.9933 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0429 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0692 1
Brugia malayi hypothetical protein 0.0026 0.0692 0.0697
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0158 1 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.1344 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2501 0.2518
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0429 0.0236
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0197 0.0198
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0429 0.0236
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0692 1
Echinococcus granulosus Aminotransferase class III 0.0022 0.0429 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0692 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2501 0.2518
Mycobacterium tuberculosis Probable aminotransferase 0.0158 1 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0197 0.0198
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0429 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2501 0.2518

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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