Detailed information for compound 1431974
Basic information
Technical information
- TDR Targets ID: 1431974
- Name: 4-amino-1-(3-methylbutyl)-5,6-dihydropyrimidi n-2-one
- MW: 183.251 | Formula: C9H17N3O
-
H donors: 1
H acceptors: 1
LogP: 0.82
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: CC(CCN1CCC(=N)NC1=O)C
- InChi: 1S/C9H17N3O/c1-7(2)3-5-12-6-4-8(10)11-9(12)13/h7H,3-6H2,1-2H3,(H2,10,11,13)
- InChiKey: OBTHJGUBFUJLKA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-amino-1-isopentyl-5,6-dihydropyrimidin-2-one
- 4-amino-1-isoamyl-5,6-dihydropyrimidin-2-one
- ZINC03887788
- MLS000772374
- SMR000344547
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Echinococcus granulosus | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Brugia malayi | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0758 | 1 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0739 | 0.9716 | 1 |
| Mycobacterium ulcerans | lysophospholipase | 0.0739 | 0.9716 | 1 |
| Chlamydia trachomatis | glutamyl-tRNA(Gln) amidotransferase subunit A | 0.0091 | 0 | 0.5 |
| Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0758 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | aspartyl/glutamyl-tRNA amidotransferase subunit A | 0.0091 | 0 | 0.5 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0739 | 0.9716 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0286 | 0.2911 | 0.2911 |
| Plasmodium falciparum | esterase, putative | 0.0739 | 0.9716 | 1 |
| Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0758 | 1 | 1 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.2911 | 0.2911 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0739 | 0.9716 | 0.5 |
| Echinococcus multilocularis | fatty acid amide hydrolase 1 | 0.0758 | 1 | 1 |
| Trichomonas vaginalis | valacyclovir hydrolase, putative | 0.0739 | 0.9716 | 0.5 |
| Trypanosoma cruzi | monoglyceride lipase, putative | 0.0739 | 0.9716 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0739 | 0.9716 | 0.5 |
| Plasmodium vivax | PST-A protein | 0.0739 | 0.9716 | 1 |
| Entamoeba histolytica | hydrolase, alpha/beta fold family domain containing protein | 0.0739 | 0.9716 | 0.5 |
| Mycobacterium tuberculosis | Possible lysophospholipase | 0.0739 | 0.9716 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.2911 | 0.2911 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0739 | 0.9716 | 1 |
| Entamoeba histolytica | hydrolase, alpha/beta fold family domain containing protein | 0.0739 | 0.9716 | 0.5 |
| Echinococcus granulosus | fatty acid amide hydrolase 1 | 0.0758 | 1 | 1 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0739 | 0.9716 | 0.5 |
| Leishmania major | monoglyceride lipase, putative | 0.0739 | 0.9716 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0739 | 0.9716 | 0.5 |
| Treponema pallidum | aspartyl/glutamyl-tRNA amidotransferase subunit A | 0.0091 | 0 | 0.5 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0739 | 0.9716 | 1 |
| Mycobacterium leprae | POSSIBLE LYSOPHOSPHOLIPASE | 0.0739 | 0.9716 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0739 | 0.9716 | 1 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0739 | 0.9716 | 0.5 |
| Schistosoma mansoni | fatty-acid amide hydrolase | 0.0758 | 1 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0739 | 0.9716 | 1 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.2911 | 0.2911 |
| Trichomonas vaginalis | Clan SC, family S33, methylesterase-like serine peptidase | 0.0739 | 0.9716 | 0.5 |
| Schistosoma mansoni | amidase | 0.0758 | 1 | 1 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0739 | 0.9716 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 95.2834 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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: CHEMBL1574876
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.