Detailed information for compound 1773860
Basic information
Technical information
- Name: Unnamed compound
- MW: 377.44 | Formula: C21H23N5O2
-
H donors: 1
H acceptors: 4
LogP: 3.44
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: N#CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2
- InChi: 1S/C21H23N5O2/c22-10-9-14-1-3-15(4-2-14)16-5-7-17(8-6-16)26-11-12-28-20-18(21(26)27)19(23)24-13-25-20/h5-8,13-15H,1-4,9,11-12H2,(H2,23,24,25)/t14-,15-
- InChiKey: SWUYRFGFZDOBPZ-SHTZXODSSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | diacylglycerol O-acyltransferase 1 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 | tyrosine protein kinase ABL1 | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0163 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Schistosoma mansoni | diacylglycerol O-acyltransferase 1 | 0.0153 | 0.845 | 0.845 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0163 | 1 | 1 |
| Brugia malayi | protein-tyrosine kinase | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0163 | 1 | 1 |
| Brugia malayi | diacylglycerol acyltransferase | 0.0153 | 0.845 | 0.845 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Plasmodium falciparum | diacylglycerol O-acyltransferase | 0.0153 | 0.845 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0163 | 1 | 1 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0163 | 1 | 1 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0163 | 1 | 1 |
| Brugia malayi | SRC-1 | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0163 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0163 | 1 | 1 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | diacylglycerol acyltransferase | 0.0153 | 0.845 | 0.845 |
| Echinococcus multilocularis | diacylglycerol O acyltransferase 1 | 0.0153 | 0.845 | 0.845 |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | diacylglycerol O acyltransferase 1 | 0.0153 | 0.845 | 0.845 |
| Brugia malayi | SH2 domain containing protein | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0163 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0163 | 1 | 1 |
| Plasmodium vivax | diacylglycerol O-acyltransferase, putative | 0.0153 | 0.845 | 0.5 |
| Toxoplasma gondii | acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha | 0.0153 | 0.845 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0163 | 1 | 1 |
| Toxoplasma gondii | acyl-CoA:diacylglycerol acyltransferase 1-related enzyme | 0.0153 | 0.845 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0163 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 0.4303 | 0.4303 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0163 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0163 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0163 | 1 | 1 |
| Onchocerca volvulus | 0.0163 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0163 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0163 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0163 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0163 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0163 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 41 nM | Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addition measured after 5 hrs by scintillation counting analysis | ChEMBL. | 23871442 |
| IC50 (binding) | = 64 nM | Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry | ChEMBL. | 23871442 |
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: CHEMBL2414667
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.