Detailed information for compound 1500676
Basic information
Technical information
- TDR Targets ID: 1500676
- Name: 10-(2-diethylaminoethyl)-1,4-dihydroxyacridin -9-one
- MW: 326.39 | Formula: C19H22N2O3
-
H donors: 2
H acceptors: 3
LogP: 3.73
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCN(CCn1c2ccccc2c(=O)c2c1c(O)ccc2O)CC
- InChi: 1S/C19H22N2O3/c1-3-20(4-2)11-12-21-14-8-6-5-7-13(14)19(24)17-15(22)9-10-16(23)18(17)21/h5-10,22-23H,3-4,11-12H2,1-2H3
- InChiKey: FGMCSSRWWVDXPV-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 10-(2-diethylaminoethyl)-1,4-dihydroxy-acridin-9-one
- 10-(2-diethylaminoethyl)-1,4-dihydroxy-9-acridinone
- 141992-44-1
- NSC625992
- AIDS-089475
- AIDS089475
- NCI60_008230
- 10-(2-(Diethylamino)ethyl)-1,4-dihydroxy-9(10H)-acridinone
- 9(10H)-Acridinone, 10-[2-(diethylamino)ethyl]-1,4-dihydroxy-
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Plasmodium berghei | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.8028 | 1 |
| Loa Loa (eye worm) | glucose-6-phosphate dehydrogenase | 0.0113 | 0.8028 | 0.8028 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.45 | 0.4946 |
| Echinococcus granulosus | glucose 6 phosphate 1 dehydrogenase | 0.0113 | 0.8028 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.2908 | 0.2908 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.45 | 0.4946 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.45 | 0.4946 |
| Toxoplasma gondii | glucose-6-phosphate 1-dehydrogenase | 0.0074 | 0.4211 | 0.4676 |
| Leishmania major | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.8028 | 1 |
| Toxoplasma gondii | glucose-6-phosphate 1-dehydrogenase | 0.0123 | 0.9007 | 1 |
| Trypanosoma cruzi | CMGC/DYRK protein kinase, putative | 0.0108 | 0.7555 | 0.9412 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.45 | 0.4946 |
| Treponema pallidum | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.8028 | 0.5 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.45 | 0.45 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.45 | 0.45 |
| Leishmania major | serine/threonine-protein kinase, putative,protein kinase, putative | 0.0108 | 0.7555 | 0.9412 |
| Trypanosoma cruzi | glucose-6-phosphate 1-dehydrogenase, putative | 0.0037 | 0.0672 | 0.0837 |
| Plasmodium falciparum | glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | 0.0123 | 0.9007 | 1 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0108 | 0.7555 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.45 | 0.45 |
| Trichomonas vaginalis | glucosamine-6-phosphate isomerase, putative | 0.0123 | 0.9007 | 0.5 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0133 | 1 | 0.5 |
| Giardia lamblia | Glucose-6-phosphate 1-dehydrogenase | 0.0123 | 0.9007 | 0.5 |
| Brugia malayi | glucose-6-phosphate dehydrogenase | 0.0113 | 0.8028 | 0.8028 |
| Trichomonas vaginalis | 6-phosphogluconolactonase, putative | 0.0123 | 0.9007 | 0.5 |
| Echinococcus granulosus | dual specificity | 0.0108 | 0.7555 | 0.8662 |
| Trypanosoma cruzi | glucose-6-phosphate 1-dehydrogenase, putative | 0.0113 | 0.8028 | 1 |
| Trypanosoma brucei | CMGC/DYRK protein kinase, putative | 0.0108 | 0.7555 | 0.9412 |
| Trypanosoma cruzi | CMGC/DYRK protein kinase, putative | 0.0108 | 0.7555 | 0.9412 |
| Trichomonas vaginalis | glucosamine-6-phosphate isomerase, putative | 0.0123 | 0.9007 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.45 | 0.45 |
| Loa Loa (eye worm) | hypothetical protein | 0.0107 | 0.7501 | 0.7501 |
| Entamoeba histolytica | protein kinase, putative | 0.0108 | 0.7555 | 0.5 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.2908 | 0.2908 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.2908 | 0.2908 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0108 | 0.7555 | 0.9324 |
| Echinococcus multilocularis | dual specificity | 0.0108 | 0.7555 | 0.8662 |
| Loa Loa (eye worm) | hypothetical protein | 0.0133 | 1 | 1 |
| Mycobacterium ulcerans | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.8028 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.1047 | 0.1047 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.45 | 0.45 |
| Brugia malayi | Protein kinase domain containing protein | 0.0108 | 0.7555 | 0.7555 |
| Entamoeba histolytica | protein kinase, putative | 0.0108 | 0.7555 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0107 | 0.7501 | 0.7501 |
| Echinococcus multilocularis | glucose 6 phosphate 1 dehydrogenase | 0.0113 | 0.8028 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.1047 | 0.1047 |
| Loa Loa (eye worm) | CMGC/DYRK/DYRK1 protein kinase | 0.0108 | 0.7555 | 0.7555 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.45 | 0.4946 |
| Trypanosoma brucei | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.8028 | 1 |
| Mycobacterium tuberculosis | Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) | 0.0039 | 0.0843 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0108 | 0.7555 | 0.5 |
| Chlamydia trachomatis | glucose-6-phosphate 1-dehydrogenase | 0.0113 | 0.8028 | 0.5 |
| Trypanosoma cruzi | Glucose-6-phosphate dehydrogenase, putative | 0.0036 | 0.0566 | 0.0705 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.2908 | 0.2908 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.45 | 0.45 |
| Plasmodium vivax | glucose-6-phosphate 1-dehydrogenase, putative | 0.0123 | 0.9007 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (binding) | = 3.164 uM | PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] | ChEMBL. | No reference |
| GI50 (functional) | -5.188 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.727 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.712 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.671 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.608 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.512 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.473 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.471 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.341 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.324 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.226 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | = 2.39 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
| IC50 (functional) | = 33.1 uM | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
| IC50 (functional) | = 64.6 uM | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
| IC50 (functional) | > 80 uM | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] | ChEMBL. | No reference |
| Potency (functional) | 7.5193 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 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) | 17.7828 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 33.5875 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 33.8078 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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) | 39.8107 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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: CHEMBL1716217
Bibliographic References
No literature references available for this target.
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