Detailed information for compound 1622508
Basic information
Technical information
- Name: Unnamed compound
- MW: 337.372 | Formula: C19H19N3O3
-
H donors: 1
H acceptors: 2
LogP: 2.74
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CCOC(=O)Nc1ccc2c(c1)nc(n(c2=O)c1ccccc1C)C
- InChi: 1S/C19H19N3O3/c1-4-25-19(24)21-14-9-10-15-16(11-14)20-13(3)22(18(15)23)17-8-6-5-7-12(17)2/h5-11H,4H2,1-3H3,(H,21,24)
- InChiKey: GVQXAIOWRFNXRS-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0281 | 0.3552 | 0.3552 |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Brugia malayi | hypothetical protein | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0457 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0457 | 1 | 1 |
| Brugia malayi | SRC-1 | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine kinase | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0457 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0457 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0457 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0457 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0457 | 1 | 1 |
| Brugia malayi | protein-tyrosine kinase | 0.0457 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0457 | 1 | 1 |
| Entamoeba histolytica | SH2 domain containing protein | 0.0281 | 0.3552 | 0.3552 |
| Entamoeba histolytica | protein kinase, putative | 0.0281 | 0.3552 | 0.3552 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0457 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0457 | 1 | 1 |
| Onchocerca volvulus | 0.0457 | 1 | 1 | |
| Echinococcus granulosus | c src tyrosine kinase | 0.0457 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | = 0 % | Anticonvulsant activity in mouse assessed as protection against strychnine-induced seizure at 1 mmol/kg, ip administered 30 min prior to strychnine-challenge measured after 60 mins relative to control | ChEMBL. | 22326394 |
| Activity (functional) | = 100 % | Anticonvulsant activity in mouse assessed as protection against pentylenetetrazol-induced seizure at 1 mmol/kg, ip administered 30 min prior to pentylenetetrazol-challenge measured after 60 mins relative to control | ChEMBL. | 22326394 |
| Activity (functional) | = 100 % | Anticonvulsant activity in mouse assessed as protection against picrotoxin-induced seizure at 1 mmol/kg, ip administered 30 min prior to picrotoxin-challenge measured after 60 mins relative to control | ChEMBL. | 22326394 |
| Activity (functional) | = 100 % | Anticonvulsant activity in mouse assessed as protection against maximal electroshock-induced seizure at 1 mmol/kg, ip administered 30 min prior to maximal electroshock-challenge measured after 60 mins relative to control | ChEMBL. | 22326394 |
| ED50 (functional) | = 0.74 mmol/Kg | Anticonvulsant activity in ip dosed mouse assessed as protection against pentylenetetrazol-induced seizure administered 30 min prior to pentylenetetrazol-challenge measured after 60 mins | ChEMBL. | 22326394 |
| GI (functional) | = 1.72 % | Growth inhibition of human SK-MEL-28 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 2 % | Growth inhibition of human SW620 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 2.2 % | Growth inhibition of human CCRF-CEM cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 2.4 % | Growth inhibition of human SK-MEL-5 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 3 % | Growth inhibition of human A549 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 3.2 % | Growth inhibition of human OVCAR5 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 3.5 % | Growth inhibition of human BT549 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 3.8 % | Growth inhibition of human OVCAR3 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 4 % | Growth inhibition of human A498 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 4 % | Growth inhibition of human ACHN cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 4.5 % | Growth inhibition of human U251 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 5 % | Growth inhibition of human MCF7 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 5.3 % | Growth inhibition of human CAKI-1 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 5.4 % | Growth inhibition of human MALME-3M cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 5.7 % | Growth inhibition of human SNB19 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 6.2 % | Growth inhibition of human K562 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 6.4 % | Growth inhibition of human HCT15 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 6.5 % | Growth inhibition of human RPMI8226 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 7 % | Growth inhibition of human UACC257 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 7.8 % | Growth inhibition of human HT-29 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 11.2 % | Growth inhibition of human PC3 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 11.6 % | Growth inhibition of human EKVX cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 12 % | Growth inhibition of human KM12 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 15.8 % | Growth inhibition of human UACC62 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 17.2 % | Growth inhibition of human SF539 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 21.3 % | Growth inhibition of human SNB75 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 24.1 % | Growth inhibition of human SR cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 24.1 % | Growth inhibition of human UO31 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| GI (functional) | = 41.6 % | Growth inhibition of human MDA-MB-435 cells at 10 uM relative to control | ChEMBL. | 22326394 |
| LD50 (ADMET) | = 1.93 mmol/Kg | Toxicity in ip dose mouse assessed as mortality | ChEMBL. | 22326394 |
| TD50 (ADMET) | = 1.78 mmol/Kg | Neurotoxicity in ip dosed mouse assessed as impaired motor coordination administered 30 mins prior to test by chimney test | ChEMBL. | 22326394 |
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: CHEMBL1958197
Bibliographic References
No literature references available for this target.
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