Detailed information for compound 1857365
Basic information
Technical information
- Name: Unnamed compound
- MW: 368.431 | Formula: C23H20N4O
-
H donors: 1
H acceptors: 1
LogP: 3.26
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=c1c(/C=N/Cc2ccccc2)c(NCc2ccccc2)nc2n1cccc2
- InChi: 1S/C23H20N4O/c28-23-20(17-24-15-18-9-3-1-4-10-18)22(25-16-19-11-5-2-6-12-19)26-21-13-7-8-14-27(21)23/h1-14,17,25H,15-16H2/b24-17+
- InChiKey: WEEQZZWITDXJGY-JJIBRWJFSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | K(lysine) acetyltransferase 2A | Starlite/ChEMBL | No references |
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | 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 |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1741 | 0.8473 |
| Echinococcus multilocularis | GPCR, family 2 | 0.0019 | 0.0209 | 0.0209 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1813 | 0.7612 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1813 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.1058 | 0.0867 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.1813 | 0.1723 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.3815 | 0.3815 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.3616 | 1 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0209 | 0.0209 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.1741 | 0.1564 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.1058 | 0.1091 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0019 | 0.0209 | 0.0102 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.2792 | 0.2713 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0439 | 0.5 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.3815 | 0.3747 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.1813 | 0.1813 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.1813 | 0.1871 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.1058 | 0.1058 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.3815 | 0.3747 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.2792 | 0.2792 |
| Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0209 | 0.0216 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.1058 | 0.096 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1741 | 0.8473 |
| Plasmodium vivax | histone acetyltransferase GCN5, putative | 0.0051 | 0.2244 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.1813 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.1058 | 0.1091 |
| Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.3616 | 1 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-A | 0.0051 | 0.2244 | 0.5682 |
| Onchocerca volvulus | 0.0033 | 0.1058 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.1058 | 0.1058 |
| Trichomonas vaginalis | cat eye syndrome critical region protein 2, cscr2, putative | 0.0051 | 0.2244 | 1 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.1058 | 0.1058 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.3815 | 0.3815 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.1058 | 0.1058 |
| Onchocerca volvulus | 0.0033 | 0.1058 | 0.5 | |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.3616 | 0.3731 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.017 | 0.9692 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.1058 | 0.1058 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.1741 | 0.165 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.3815 | 0.3815 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.1813 | 0.8946 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.1597 | 0.1417 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.152 | 0.3402 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.1813 | 0.4325 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3815 | 0.3683 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1813 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1741 | 0.8473 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.1813 | 0.7612 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.1597 | 0.1597 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3815 | 0.3683 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.1597 | 0.1504 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.0051 | 0.2244 | 0.2316 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0439 | 0.0334 |
| Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0209 | 0.0209 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-B | 0.0051 | 0.2244 | 0.5682 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.3616 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.2792 | 0.2713 |
| Trichomonas vaginalis | bromodomain-containing protein, putative | 0.0051 | 0.2244 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3815 | 0.3683 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.1813 | 0.7612 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.3815 | 0.3936 |
| Schistosoma mansoni | lamin | 0.0033 | 0.1058 | 0.0867 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1813 | 0.1638 |
| Schistosoma mansoni | lamin | 0.0033 | 0.1058 | 0.0867 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0019 | 0.0209 | 0.0102 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.1813 | 0.1638 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.3616 | 0.348 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0209 | 0.0209 |
| Echinococcus granulosus | GPCR family 2 | 0.0019 | 0.0209 | 0.0216 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.1741 | 0.8473 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.3616 | 0.348 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.3616 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0209 | 0.0209 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.1058 | 0.096 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3815 | 0.3683 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0439 | 0.0439 |
| Entamoeba histolytica | acetyltransferase, GNAT family | 0.0047 | 0.1975 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1813 | 1 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.3616 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0439 | 0.0235 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.3616 | 0.3616 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0109 | 0.0109 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.152 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.1741 | 0.1796 |
| Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0175 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.2792 | 0.2792 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.1813 | 0.4325 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.1058 | 0.1058 |
| Schistosoma mansoni | gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 | 0.0175 | 1 | 1 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0439 | 0.0453 |
| Loa Loa (eye worm) | acetyltransferase | 0.0175 | 1 | 1 |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0209 | 0.0216 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.3815 | 0.3815 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.3616 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0439 | 0.0235 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.1813 | 0.4325 |
| Plasmodium falciparum | histone acetyltransferase GCN5 | 0.0047 | 0.1975 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.1741 | 0.1564 |
| Echinococcus granulosus | lamin | 0.0033 | 0.1058 | 0.1091 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.1741 | 0.1741 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.1813 | 0.1813 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.102 | 0.102 |
| Giardia lamblia | Histone acetyltransferase GCN5 | 0.0047 | 0.1975 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0439 | 0.0439 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.3815 | 0.3747 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.3815 | 0.3683 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0178 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.7943 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.0119 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 7.0795 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) | 7.0795 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 9.285 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 11.2202 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 |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | 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) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 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 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| Plasmodium falciparum | ChEMBL23 |
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: CHEMBL3192607
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.