Detailed information for compound 553864
Basic information
Technical information
- TDR Targets ID: 553864
- Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][ 1]benzazepin-11-yl)propyl-methyl-amino]ethano ne hydrochloride
- MW: 455.419 | Formula: C26H28Cl2N2O
-
H donors: 0
H acceptors: 1
LogP: 7.13
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2.Cl
- InChi: 1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H
- InChiKey: ZWZIQPOLMDPIQM-UHFFFAOYSA-N
Network
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Synonyms
- 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone hydrochloride
- Lofepramine
- 26786-32-3
- 1-(4-Chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)ethan-1-one monohydrochloride
- 4'-Chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)acetophenone monohydrochloride
- 5H-Dibenz(b,f)azepine, 5-(3-((p-chlorobenzoylmethyl)-N-methylamino)propyl)-, hydrochloride
- Acetophenone, 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-, hydrochloride
- Clopepramine hydrochloride
- DB-2182
- EINECS 248-002-2
- Ethanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-, monohydrochloride
- Iopramine hydrochloride
- LOFEPRAMINE HYDROCHLORIDE
- Leo 640 hydrochloride
- Lofepramine hydrochloride [USAN:JAN]
- N-Methyl-N-(4'-chlorophenacyl)-3-(10,11-dihydro-5H-dibenzo(b,f)azepin-5-yl)propylamine HCl
- WHR 2908A
- 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone hydrochloride
- 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone hydrochloride
- CHEBI:31780
- Gamanil
- Amplit
- L8792_SIGMA
- N-(4-Chlorobenzoylmethyl)-3-(10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)-n-methylpropylamine hydrochloride
- Amplit (TN)
- D01285
- Lofepramine hydrochloride (JAN/USAN)
- Gamonil
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | jun proto-oncogene | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | jun protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus granulosus | jun protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Brugia malayi | bZIP transcription factor family protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | Get druggable targets OG5_131442 | All targets in OG5_131442 |
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 | L aminoadipate semialdehyde | 0.01 | 0.2574 | 0.9846 |
| Echinococcus multilocularis | n acetylated alpha linked acidic dipeptidase 2 | 0.0269 | 0.9336 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0251 | 0.8617 | 0.8978 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0101 | 0.2614 | 0.2801 |
| Onchocerca volvulus | 0.008 | 0.1743 | 0.1743 | |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0296 | 0.0526 |
| Brugia malayi | bZIP transcription factor family protein | 0.0101 | 0.2614 | 0.3036 |
| Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.2503 | 0.2608 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0296 | 0.0317 |
| Brugia malayi | hypothetical protein | 0.008 | 0.1743 | 0.2025 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0286 | 1 | 0.5 |
| Onchocerca volvulus | 0.01 | 0.2574 | 0.2574 | |
| Brugia malayi | Pre-SET motif family protein | 0.0251 | 0.8611 | 1 |
| Brugia malayi | aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase | 0.01 | 0.2574 | 0.2989 |
| Schistosoma mansoni | aminoadipate-semialdehyde dehydrogenase | 0.01 | 0.2574 | 0.458 |
| Schistosoma mansoni | jun-related protein | 0.0082 | 0.1855 | 0.33 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.9598 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0296 | 0.5 |
| Echinococcus multilocularis | jun protein | 0.0101 | 0.2614 | 0.2801 |
| Schistosoma mansoni | hypothetical protein | 0.0082 | 0.1855 | 0.33 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0296 | 0.1132 |
| Echinococcus granulosus | jun protein | 0.0101 | 0.2614 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0062 | 0.1056 | 0.1879 |
| Loa Loa (eye worm) | hypothetical protein | 0.0183 | 0.5883 | 0.613 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0296 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0296 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0101 | 0.2614 | 1 |
| Plasmodium vivax | SET domain protein, putative | 0.0036 | 0 | 0.5 |
| Toxoplasma gondii | histone lysine methyltransferase SET/SUV39 | 0.0036 | 0 | 0.5 |
| Schistosoma mansoni | NAALADASE L peptidase (M28 family) | 0.0177 | 0.5621 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0296 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0296 | 0.0344 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0296 | 0.0526 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0251 | 0.8611 | 0.8971 |
| Loa Loa (eye worm) | hypothetical protein | 0.01 | 0.2574 | 0.2682 |
| Echinococcus multilocularis | L aminoadipate semialdehyde | 0.01 | 0.2574 | 0.2757 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 11.8823 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.9301 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 26.6032 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 26.8325 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.847 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) | 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.
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.