Detailed information for compound 1367922
Basic information
Technical information
- TDR Targets ID: 1367922
- Name: 1-(6-methoxyfuro[5,4-b]quinoline-2-carbonyl)p iperidine-4-carboxamide
- MW: 353.372 | Formula: C19H19N3O4
-
H donors: 1
H acceptors: 3
LogP: 1.83
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc2c(c1)cc1c(n2)oc(c1)C(=O)N1CCC(CC1)C(=O)N
- InChi: 1S/C19H19N3O4/c1-25-14-2-3-15-12(9-14)8-13-10-16(26-18(13)21-15)19(24)22-6-4-11(5-7-22)17(20)23/h2-3,8-11H,4-7H2,1H3,(H2,20,23)
- InChiKey: BSQBZRZXVYVARJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-[(6-methoxy-2-furo[5,4-b]quinolinyl)-oxomethyl]-4-piperidinecarboxamide
- 1-(6-methoxyfuro[5,4-b]quinoline-2-carbonyl)isonipecotamide
- 1-(6-methoxyfuro[5,4-b]quinolin-2-yl)carbonylpiperidine-4-carboxamide
- EU-0059465
- SMR000026427
- 1-[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonyl]piperidine-4-carboxamide
- MLS000091903
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | breast cancer 1, early onset | Starlite/ChEMBL | No references |
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | muscleblind protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Echinococcus granulosus | muscleblind protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Echinococcus multilocularis | muscleblind protein 1 | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Brugia malayi | Muscleblind-like protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
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) | tyrosinase 1 | 0.0518 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Plasmodium falciparum | replication factor C subunit 1, putative | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Mycobacterium leprae | PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.333 | 0.333 |
| Trichomonas vaginalis | chromosome transmission fidelity factor, putative | 0.0012 | 0 | 0.5 |
| Onchocerca volvulus | 0.0518 | 1 | 1 | |
| Trichomonas vaginalis | chromosome transmission fidelity factor, putative | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Brugia malayi | Common central domain of tyrosinase family protein | 0.0518 | 1 | 1 |
| Toxoplasma gondii | ATPase, AAA family protein | 0.0012 | 0 | 0.5 |
| Entamoeba histolytica | Activator 1 140 kDa subunit, putative | 0.0012 | 0 | 0.5 |
| Mycobacterium ulcerans | NAD-dependent DNA ligase LigA | 0.0012 | 0 | 0.5 |
| Brugia malayi | Muscleblind-like protein | 0.018 | 0.333 | 0.333 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 0.333 | 1 |
| Giardia lamblia | Replication factor C, subunit 1 | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | ShTK domain-containing protein | 0.0518 | 1 | 1 |
| Toxoplasma gondii | poly(ADP-ribose) polymerase catalytic domain-containing protein | 0.0012 | 0 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Schistosoma mansoni | tyrosinase precursor | 0.0518 | 1 | 1 |
| Brugia malayi | Hypothetical tyrosinase-like protein C02C2.1 in chromosome III | 0.0518 | 1 | 1 |
| Brugia malayi | Hypothetical tyrosinase-like protein C02C2.1 in chromosome III | 0.0518 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0518 | 1 | 1 |
| Onchocerca volvulus | 0.0518 | 1 | 1 | |
| Brugia malayi | Hypothetical tyrosinase-like protein F21C3.2 in chromosome I | 0.0518 | 1 | 1 |
| Onchocerca volvulus | 0.0518 | 1 | 1 | |
| Treponema pallidum | DNA ligase (lig) | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | RNA polymerase II ctd phosphatase, putative | 0.0012 | 0 | 0.5 |
| Schistosoma mansoni | tyrosinase precursor | 0.0518 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Brugia malayi | Hypothetical tyrosinase-like protein C02C2.1 in chromosome III | 0.0518 | 1 | 1 |
| Trypanosoma cruzi | FHA domain containing protein, putative | 0.0012 | 0 | 0.5 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 0.333 | 1 |
| Onchocerca volvulus | 0.0518 | 1 | 1 | |
| Chlamydia trachomatis | DNA ligase | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | ShTK domain-containing protein | 0.0518 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | RNA polymerase II ctd phosphatase, putative | 0.0012 | 0 | 0.5 |
| Trypanosoma cruzi | BRCA1 C Terminus (BRCT) domain containing protein, putative | 0.0012 | 0 | 0.5 |
| Plasmodium vivax | replication factor C subunit 1, putative | 0.0012 | 0 | 0.5 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 0.333 | 1 |
| Trypanosoma brucei | BRCA1 C Terminus (BRCT) domain containing protein, putative | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | replication factor C large subunit, putative | 0.0012 | 0 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | NAD-dependent DNA ligase, Lig | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0518 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 0.333 | 0.333 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (binding) | 11.2202 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 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) | 14.1254 uM | PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.1093 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | 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: CHEMBL1490913
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.