Detailed information for compound 1332799
Basic information
Technical information
- TDR Targets ID: 1332799
- Name: 6-(4-chlorophenyl)-8-methyl-2-(phenylmethoxy) pteridin-7-one
- MW: 378.812 | Formula: C20H15ClN4O2
-
H donors: 0
H acceptors: 3
LogP: 3.57
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)c1nc2cnc(nc2n(c1=O)C)OCc1ccccc1
- InChi: 1S/C20H15ClN4O2/c1-25-18-16(23-17(19(25)26)14-7-9-15(21)10-8-14)11-22-20(24-18)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
- InChiKey: MMZNBZBLLZOHQC-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 6-(4-chlorophenyl)-8-methyl-2-(phenylmethoxy)-7-pteridinone
- 2-(benzyloxy)-6-(4-chlorophenyl)-8-methyl-pteridin-7-one
- NCGC00010586
- PCOP-195288
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
| Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 10 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.5444 | 0.5393 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.5454 | 1 |
| Leishmania major | ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative | 0.0045 | 0.5454 | 0.0022 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.3221 | 0.3146 |
| Trypanosoma brucei | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.5454 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.3221 | 0.3146 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0.5454 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.5444 | 0.3279 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.4581 | 0.5 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0069 | 1 | 1 |
| Echinococcus multilocularis | Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 0.5454 | 0.5403 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.3221 | 0.3525 |
| Schistosoma mansoni | ubiquitin-specific peptidase 8 (C19 family) | 0.0045 | 0.5454 | 0.3294 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.011 | 0.012 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.5444 | 0.524 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.5444 | 0.5957 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0045 | 0.5454 | 1 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.3221 | 0.2917 |
| Onchocerca volvulus | 0.0033 | 0.3221 | 0.5 | |
| Echinococcus granulosus | Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 0.5454 | 0.5403 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.3221 | 0.3525 |
| Echinococcus granulosus | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 0.5454 | 0.5403 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.3221 | 0.3146 |
| Echinococcus multilocularis | ubiquitin specific protease 41 | 0.0045 | 0.5454 | 0.5403 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0069 | 1 | 1 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.3221 | 0.3146 |
| Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0045 | 0.5454 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.5444 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.3221 | 0.3146 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.5444 | 0.5 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 1 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.5444 | 0.5393 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.3221 | 0.3146 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 0.5454 | 1 |
| Brugia malayi | Ubiquitin carboxyl-terminal hydrolase family protein | 0.0045 | 0.5454 | 0.525 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.5444 | 0.3279 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0429 | 0.047 |
| Onchocerca volvulus | 0.0033 | 0.3221 | 0.5 | |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0069 | 1 | 1 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0069 | 1 | 1 |
| Entamoeba histolytica | ubiquitin carboxyl-terminal hydrolase domain containing protein | 0.0045 | 0.5454 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.3221 | 0.3525 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0069 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 0.5454 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.3111 | 0.3405 |
| Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.5454 | 0.5968 |
| Schistosoma mansoni | ubiquitin-specific peptidase 2 (C19 family) | 0.0045 | 0.5454 | 0.3294 |
| Loa Loa (eye worm) | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0065 | 0.9139 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.3221 | 0.2917 |
| Echinococcus granulosus | ubiquitin specific protease 41 | 0.0045 | 0.5454 | 0.5403 |
| Echinococcus multilocularis | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 0.5454 | 0.5403 |
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) | 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 | |
| AC50 (functional) | = 0.794328235 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 |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 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.
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
- ChEMBL: CHEMBL1435045
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.