Detailed information for compound 1205216
Basic information
Technical information
- TDR Targets ID: 1205216
- Name: 6-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethy lcarbamoyl]cyclohex-3-ene-1-carboxylic acid
- MW: 327.378 | Formula: C18H21N3O3
-
H donors: 2
H acceptors: 4
LogP: 2.39
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C1CC=CCC1C(=O)O)NCCc1cn2c(n1)cc(cc2)C
- InChi: 1S/C18H21N3O3/c1-12-7-9-21-11-13(20-16(21)10-12)6-8-19-17(22)14-4-2-3-5-15(14)18(23)24/h2-3,7,9-11,14-15H,4-6,8H2,1H3,(H,19,22)(H,23,24)
- InChiKey: SYIWVWSNCHJTSP-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 6-[[2-(7-methyl-2-imidazo[1,2-a]pyridinyl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
- MLS000419633
- SMR000320471
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mus musculus | transient receptor potential cation channel, subfamily C, member 4 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Echinococcus multilocularis | short transient receptor potential channel 6 | transient receptor potential cation channel, subfamily C, member 4 | 890 aa | 799 aa | 31.2 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.4469 | 0.4469 |
| Loa Loa (eye worm) | hypothetical protein | 0.0117 | 1 | 1 |
| Echinococcus multilocularis | short transient receptor potential channel 6 | 0.0078 | 0.4609 | 0.4609 |
| Echinococcus multilocularis | short transient receptor potential channel 6 | 0.0078 | 0.4609 | 0.4609 |
| Loa Loa (eye worm) | hypothetical protein | 0.0074 | 0.4079 | 0.4079 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.4469 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.4469 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.4469 | 0.4469 |
| Schistosoma mansoni | transient receptor potential channel | 0.0078 | 0.4609 | 0.0253 |
| Echinococcus granulosus | short transient receptor potential channel 6 | 0.0078 | 0.4609 | 0.4609 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.4469 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.4469 | 0.4469 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.4469 | 0.4469 |
| Echinococcus multilocularis | transient receptor potential ion channel A | 0.0113 | 0.9469 | 0.9469 |
| Echinococcus granulosus | transient receptor potential ion channel A | 0.0113 | 0.9469 | 0.9469 |
| Schistosoma mansoni | transient receptor potential channel | 0.0078 | 0.4609 | 0.0253 |
| Schistosoma mansoni | transient receptor potential channel | 0.0117 | 1 | 1 |
| Echinococcus granulosus | short transient receptor potential channel 6 | 0.0078 | 0.4609 | 0.4609 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.4469 | 0.4469 |
| Echinococcus multilocularis | transient receptor potential gamma protein | 0.0117 | 1 | 1 |
| Schistosoma mansoni | transient receptor potential channel 4 | 0.0117 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | 3.7573 uM | PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] | ChEMBL. | No reference |
| Potency (functional) | 0.5858 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 3.9811 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 13.1154 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) | 20.5878 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) | 20.5962 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 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 |
| Potency (functional) | 63.0957 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: CHEMBL1303015
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.