Detailed information for compound 1455361
Basic information
Technical information
- TDR Targets ID: 1455361
- Name: 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-ylprop anamide
- MW: 295.293 | Formula: C16H13N3O3
-
H donors: 1
H acceptors: 4
LogP: 0.64
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1cccnc1)CCN1C(=O)c2c(C1=O)cccc2
- InChi: 1S/C16H13N3O3/c20-14(18-11-4-3-8-17-10-11)7-9-19-15(21)12-5-1-2-6-13(12)16(19)22/h1-6,8,10H,7,9H2,(H,18,20)
- InChiKey: LDTUCIOTTPQKIW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-(1,3-dioxoisoindolin-2-yl)-N-(3-pyridyl)propanamide
- 3-(1,3-dioxo-2-isoindolinyl)-N-(3-pyridyl)propanamide
- 3-(1,3-diketoisoindolin-2-yl)-N-(3-pyridyl)propionamide
- 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-3-yl-propanamide
- MLS000525441
- SMR000115915
- EU-0042848
- CBMicro_049415
- BIM-0049326.P001
- ZINC00114918
- 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-pyridin-3-yl-propionamide
- BAS 01060464
- Oprea1_585621
- Oprea1_783032
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polymerase (DNA directed) iota | Starlite/ChEMBL | No references |
| Homo sapiens | glucosidase, alpha | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | 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 |
|---|---|---|---|---|
| Trypanosoma brucei | hexokinase | 0.0851 | 1 | 1 |
| Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.1557 | 0.1557 |
| Echinococcus multilocularis | hexokinase | 0.0851 | 1 | 1 |
| Loa Loa (eye worm) | hexokinase type II | 0.0851 | 1 | 1 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0012 | 0.0012 |
| Loa Loa (eye worm) | hexokinase | 0.0263 | 0.2721 | 0.2721 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0012 | 0.0012 |
| Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.0197 | 0.1897 | 0.1897 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0012 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0012 | 0.0012 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0012 | 0.0012 |
| Onchocerca volvulus | Hexokinase homolog | 0.0534 | 0.6072 | 0.5698 |
| Entamoeba histolytica | hexokinase 1 | 0.0851 | 1 | 1 |
| Echinococcus granulosus | hexokinase type 2 | 0.0851 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0271 | 0.281 | 0.281 |
| Brugia malayi | Hexokinase family protein | 0.0263 | 0.2721 | 0.2721 |
| Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.1897 | 0.1897 |
| Echinococcus granulosus | hexokinase | 0.0851 | 1 | 1 |
| Onchocerca volvulus | 0.0534 | 0.6072 | 0.5698 | |
| Plasmodium vivax | hexokinase, putative | 0.0851 | 1 | 0.5 |
| Leishmania major | hexokinase, putative | 0.0851 | 1 | 1 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.0012 | 0.5 |
| Brugia malayi | hexokinase type II | 0.0271 | 0.281 | 0.281 |
| Echinococcus granulosus | hexokinase | 0.0851 | 1 | 1 |
| Plasmodium falciparum | hexokinase | 0.0851 | 1 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0012 | 0.0012 |
| Trypanosoma brucei | hexokinase, putative | 0.0851 | 1 | 1 |
| Onchocerca volvulus | 0.0851 | 1 | 1 | |
| Loa Loa (eye worm) | hexokinase | 0.0851 | 1 | 1 |
| Loa Loa (eye worm) | hexokinase | 0.0534 | 0.6072 | 0.6072 |
| Entamoeba histolytica | hexokinase 2 | 0.0851 | 1 | 1 |
| Brugia malayi | Hexokinase family protein | 0.0851 | 1 | 1 |
| Leishmania major | hexokinase, putative | 0.0851 | 1 | 1 |
| Onchocerca volvulus | 0.0851 | 1 | 1 | |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0012 | 0.0012 |
| Loa Loa (eye worm) | hypothetical protein | 0.0271 | 0.281 | 0.281 |
| Echinococcus granulosus | hexokinase | 0.0851 | 1 | 1 |
| Echinococcus multilocularis | lysosomal alpha glucosidase | 0.0197 | 0.1897 | 0.1897 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0012 | 0.0012 |
| Loa Loa (eye worm) | hypothetical protein | 0.058 | 0.6649 | 0.6649 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0012 | 0.5 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0012 | 1 |
| Toxoplasma gondii | hexokinase | 0.0851 | 1 | 1 |
| Trypanosoma cruzi | hexokinase, putative | 0.0851 | 1 | 1 |
| Schistosoma mansoni | alpha-glucosidase | 0.0169 | 0.1557 | 0.1557 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.0012 | 1 |
| Echinococcus multilocularis | hexokinase type 2 | 0.0851 | 1 | 1 |
| Brugia malayi | Hexokinase family protein | 0.0534 | 0.6072 | 0.6072 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0012 | 0.0012 |
| Echinococcus multilocularis | hexokinase | 0.0851 | 1 | 1 |
| Trypanosoma cruzi | hexokinase, putative | 0.0851 | 1 | 1 |
| Loa Loa (eye worm) | hexokinase | 0.0851 | 1 | 1 |
| Treponema pallidum | hexokinase (hxk) | 0.0851 | 1 | 0.5 |
| Echinococcus multilocularis | hexokinase | 0.0851 | 1 | 1 |
| Brugia malayi | Glycosyl hydrolases family 31 protein | 0.0197 | 0.1897 | 0.1897 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0012 | 0.0012 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0012 | 0.0012 |
| Onchocerca volvulus | 0.0851 | 1 | 1 | |
| Trypanosoma brucei | hexokinase | 0.0851 | 1 | 1 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0012 | 0.0012 |
| Echinococcus granulosus | lysosomal alpha glucosidase | 0.0197 | 0.1897 | 0.1897 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0012 | 0.0012 |
| Schistosoma mansoni | hexokinase | 0.0851 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.3162 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.0418 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) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] | ChEMBL. | No reference |
| Potency (functional) | 15.8489 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 |
|---|---|---|---|
| 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: CHEMBL1610672
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.