Detailed information for compound 1263898
Basic information
Technical information
- TDR Targets ID: 1263898
- Name: 3-chloro-N-(2-oxo-2-spiro[1,5,6,7-tetrahydroi midazo[4,5-c]pyridine-4,4'-piperidine]-1'-yle thyl)benzamide
- MW: 387.863 | Formula: C19H22ClN5O2
-
H donors: 3
H acceptors: 3
LogP: 1.01
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cccc(c1)C(=O)NCC(=O)N1CCC2(CC1)NCCc1c2nc[nH]1
- InChi: 1S/C19H22ClN5O2/c20-14-3-1-2-13(10-14)18(27)21-11-16(26)25-8-5-19(6-9-25)17-15(4-7-24-19)22-12-23-17/h1-3,10,12,24H,4-9,11H2,(H,21,27)(H,22,23)
- InChiKey: QRHGQHYUGYDNCX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-chloro-N-(2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl-ethyl)benzamide
- 3-chloro-N-[2-oxo-2-(1'-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]yl)ethyl]benzamide
- 3-chloro-N-(2-keto-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl-ethyl)benzamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
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 |
|---|---|---|---|---|
| Echinococcus granulosus | activated cdc42 kinase 1 | 0.0577 | 0.8511 | 0.8317 |
| Brugia malayi | Protein kinase domain containing protein | 0.0577 | 0.8511 | 0.8498 |
| Echinococcus multilocularis | activated cdc42 kinase 1 | 0.0577 | 0.8511 | 0.8317 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0676 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.003 | 0.025 | 0.0164 |
| Loa Loa (eye worm) | hypothetical protein | 0.0341 | 0.4935 | 0.4805 |
| Loa Loa (eye worm) | hypothetical protein | 0.0573 | 0.8443 | 0.8403 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0676 | 1 | 1 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0676 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0676 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0676 | 1 | 0.5 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0676 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0676 | 1 | 0.5 |
| Loa Loa (eye worm) | camk/dcamkl protein kinase | 0.0145 | 0.1987 | 0.1782 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0676 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0341 | 0.4935 | 0.4276 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0676 | 1 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0676 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0336 | 0.4867 | 0.4736 |
| Brugia malayi | Protein kinase domain containing protein | 0.009 | 0.1151 | 0.1073 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0676 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0676 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0676 | 1 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.025 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0336 | 0.4867 | 0.4736 |
| Echinococcus multilocularis | protein KINase family member (kin 25) | 0.0341 | 0.4935 | 0.4276 |
| Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.0922 | 0.0689 |
| Echinococcus multilocularis | transfer RNA-Thr | 0.0577 | 0.8511 | 0.8317 |
| Echinococcus granulosus | activated cdc42 kinase 1 | 0.0577 | 0.8511 | 0.8317 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0676 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0341 | 0.4935 | 0.4935 |
| Loa Loa (eye worm) | hypothetical protein | 0.0577 | 0.8511 | 0.8472 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.025 | 0.5 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0.025 | 0.5 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0676 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0676 | 1 | 1 |
| Brugia malayi | Doublecortin family protein | 0.0145 | 0.1987 | 0.1917 |
| Loa Loa (eye worm) | NAK/GAK protein kinase | 0.009 | 0.1151 | 0.0924 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0676 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0676 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.009 | 0.1151 | 0.1151 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0676 | 1 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0676 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
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: CHEMBL1362458
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.