Detailed information for compound 1471825
Basic information
Technical information
- TDR Targets ID: 1471825
- Name: 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpro pyl)-1H-pyrrole-2-carboxamide
- MW: 291.389 | Formula: C16H25N3O2
-
H donors: 2
H acceptors: 2
LogP: 1.65
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1[nH]c(c(c1C)C(=O)C)C)NCCCN1CCCC1
- InChi: 1S/C16H25N3O2/c1-11-14(13(3)20)12(2)18-15(11)16(21)17-7-6-10-19-8-4-5-9-19/h18H,4-10H2,1-3H3,(H,17,21)
- InChiKey: NMRNCLUENRQYNO-UHFFFAOYSA-N
Network
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Synonyms
- 4-acetyl-3,5-dimethyl-N-(3-1-pyrrolidinylpropyl)-1H-pyrrole-2-carboxamide
- 4-ethanoyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
- EU-0026372
- MLS000045241
- SMR000026833
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
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 |
|---|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | 0.0123 | 0.293 | 0.2678 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Brugia malayi | YY1-associated factor 2 | 0.0123 | 0.293 | 0.293 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0345 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0061 | 0.0953 | 0.0953 |
| Loa Loa (eye worm) | brahma associated protein | 0.0345 | 1 | 1 |
| Echinococcus multilocularis | Upstream activation factor subunit UAF30 | 0.0345 | 1 | 1 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0123 | 0.293 | 1 |
| Trypanosoma brucei | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0123 | 0.293 | 1 |
| Onchocerca volvulus | 0.0345 | 1 | 1 | |
| Schistosoma mansoni | brg-1 associated factor | 0.0345 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0345 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0345 | 1 | 0.5 |
| Toxoplasma gondii | Zn-finger in Ran binding protein and others domain-containing protein | 0.0123 | 0.293 | 0.293 |
| Schistosoma mansoni | TRABID protein (C64 family) | 0.0123 | 0.293 | 0.2678 |
| Loa Loa (eye worm) | hypothetical protein | 0.0123 | 0.293 | 0.293 |
| Brugia malayi | brahma associated protein 60 kDa | 0.0345 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0343 | 0.0343 |
| Plasmodium falciparum | zinc finger Ran-binding domain-containing protein 2, putative | 0.0123 | 0.293 | 0.293 |
| Loa Loa (eye worm) | hypothetical protein | 0.0123 | 0.293 | 0.293 |
| Leishmania major | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Chlamydia trachomatis | SWIB complex protein | 0.0345 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0123 | 0.293 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0345 | 1 | 1 |
| Loa Loa (eye worm) | SWIB/MDM2 domain-containing protein | 0.0345 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0345 | 1 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0061 | 0.0953 | 0.0953 |
| Loa Loa (eye worm) | hypothetical protein | 0.0123 | 0.293 | 0.293 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Toxoplasma gondii | ran binding protein | 0.0123 | 0.293 | 0.293 |
| Loa Loa (eye worm) | hypothetical protein | 0.0123 | 0.293 | 0.293 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 0.0953 | 0.0953 |
| Brugia malayi | Zn-finger in Ran binding protein and others containing protein | 0.0123 | 0.293 | 0.293 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0123 | 0.293 | 1 |
| Brugia malayi | Zn-finger in Ran binding protein and others containing protein | 0.0123 | 0.293 | 0.293 |
| Chlamydia trachomatis | DNA topoisomerase I | 0.0345 | 1 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0343 | 0.0343 |
| Echinococcus granulosus | SWI:SNF matrix associated | 0.0345 | 1 | 1 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0345 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Schistosoma mansoni | RNA binding protein | 0.0123 | 0.293 | 0.2678 |
| Schistosoma mansoni | fusion | 0.0123 | 0.293 | 0.2678 |
| Brugia malayi | Zn-finger in Ran binding protein and others containing protein | 0.0123 | 0.293 | 0.293 |
| Leishmania major | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0123 | 0.293 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0345 | 1 | 1 |
| Plasmodium vivax | SWIB/MDM2 domain-containing protein, putative | 0.0345 | 1 | 1 |
| Echinococcus granulosus | Upstream activation factor subunit UAF30 | 0.0345 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0345 | 1 | 1 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0123 | 0.293 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0123 | 0.293 | 0.293 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0345 | 1 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0345 | 1 | 1 |
| Brugia malayi | Zn-finger in Ran binding protein and others containing protein | 0.0123 | 0.293 | 0.293 |
| Brugia malayi | SWIB/MDM2 domain containing protein | 0.0345 | 1 | 1 |
| Schistosoma mansoni | zinc finger protein | 0.0123 | 0.293 | 0.2678 |
| Trypanosoma brucei | mitochondrial RNA binding complex 1 subunit | 0.0123 | 0.293 | 1 |
| Toxoplasma gondii | SWIB/MDM2 domain-containing protein | 0.0345 | 1 | 1 |
| Toxoplasma gondii | DNA topoisomerase domain-containing protein | 0.0345 | 1 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0123 | 0.293 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0123 | 0.293 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0061 | 0.0953 | 0.0953 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0123 | 0.293 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0928 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) | = 25.1189 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) | = 100 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | 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: CHEMBL1582170
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.