Detailed information for compound 416600
Basic information
Technical information
- TDR Targets ID: 416600
- Name: N-hydroxy-2-(2-methylpropyl)-N'-(naphthalen-1 -ylmethyl)propanediamide
- MW: 314.379 | Formula: C18H22N2O3
-
H donors: 3
H acceptors: 3
LogP: 2.96
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: ONC(=O)C(C(=O)NCc1cccc2c1cccc2)CC(C)C
- InChi: 1S/C18H22N2O3/c1-12(2)10-16(18(22)20-23)17(21)19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,23H,10-11H2,1-2H3,(H,19,21)(H,20,22)
- InChiKey: LKSDCWKLCIXACF-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-(hydroxycarbamoyl)-4-methyl-N-(1-naphthylmethyl)pentanamide
- 2-[(hydroxyamino)-oxomethyl]-4-methyl-N-(1-naphthalenylmethyl)pentanamide
- 2-(hydroxycarbamoyl)-4-methyl-N-(1-naphthylmethyl)valeramide
- 2-[(hydroxyamino)-oxomethyl]-4-methyl-N-(1-naphthylmethyl)pentanamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Sus scrofa | Aminopeptidase N | Starlite/ChEMBL | References |
| Plasmodium falciparum FcB1/Columbia | Zinc aminopeptidase | Starlite/ChEMBL | 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 |
|---|---|---|---|---|---|
| Echinococcus multilocularis | puromycin sensitive aminopeptidase | Aminopeptidase N | 963 aa | 981 aa | 29.2 % |
| Onchocerca volvulus | Aminopeptidase N | 963 aa | 893 aa | 32.0 % | |
| Echinococcus multilocularis | puromycin sensitive aminopeptidase | Aminopeptidase N | 963 aa | 988 aa | 28.5 % |
| Echinococcus multilocularis | puromycin sensitive aminopeptidase | Aminopeptidase N | 963 aa | 981 aa | 28.8 % |
| Echinococcus granulosus | puromycin sensitive aminopeptidase | Aminopeptidase N | 963 aa | 975 aa | 29.1 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | aminopeptidase N | 0.0158 | 0.0112 | 0.5 |
| Trypanosoma brucei | malonyl-CoA decarboxylase, mitochondrial precursor, putative | 0.2033 | 0.3808 | 0.5 |
| Leishmania major | malonyl-coa decarboxylase-like protein | 0.2033 | 0.3808 | 0.5 |
| Toxoplasma gondii | aminopeptidase N, putative | 0.039 | 0.057 | 0.5 |
| Plasmodium vivax | M1-family alanyl aminopeptidase, putative | 0.039 | 0.057 | 0.5 |
| Loa Loa (eye worm) | peptidase family M1 containing protein | 0.0131 | 0.0058 | 0.0058 |
| Trypanosoma cruzi | malonyl-CoA decarboxylase, mitochondrial precursor, putative | 0.2033 | 0.3808 | 0.5 |
| Toxoplasma gondii | aminopeptidase n, putative | 0.039 | 0.057 | 0.5 |
| Onchocerca volvulus | 0.0158 | 0.0112 | 0.5 | |
| Trypanosoma cruzi | malonyl-CoA decarboxylase, mitochondrial precursor, putative | 0.2033 | 0.3808 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 0.0054 | 0.0054 |
| Plasmodium falciparum | M1-family alanyl aminopeptidase | 0.039 | 0.057 | 0.5 |
| Toxoplasma gondii | aminopeptidase N protein | 0.039 | 0.057 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | malonyl-CoA decarboxylase | 0.5174 | 1 | 0.5 |
| Echinococcus granulosus | aminopeptidase N | 0.0158 | 0.0112 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.5174 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 91 nM | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | ChEMBL. | 17326615 |
| IC50 (binding) | = 91 nM | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | ChEMBL. | 17326615 |
| IC50 (binding) | = 8580 nM | Inhibition of pig kidney microsomal APN | ChEMBL. | 17326615 |
| IC50 (binding) | = 8580 nM | Inhibition of pig kidney microsomal APN | ChEMBL. | 17326615 |
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: CHEMBL374479
- PubChem: 16114636
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.