Detailed information for compound 1858475
Basic information
Technical information
- TDR Targets ID: 1858475
- Name: 1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4- yl)methanimine
- MW: 319.941 | Formula: C7H4Br2N4O
-
H donors: 0
H acceptors: 2
LogP: 2.27
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Brc1oc(cc1Br)/C=N/n1cnnc1
- InChi: 1S/C7H4Br2N4O/c8-6-1-5(14-7(6)9)2-12-13-3-10-11-4-13/h1-4H/b12-2+
- InChiKey: RCIBPBAYIWCVLA-SWGQDTFXSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-(4,5-dibromo-2-furyl)-N-(1,2,4-triazol-4-yl)methanimine
- (4,5-dibromo-2-furyl)methylene-(1,2,4-triazol-4-yl)amine
- (E)-(4,5-dibromo-2-furyl)methylene-(1,2,4-triazol-4-yl)amine
- SMR000353516
- MLS001017330
- STK055489
- Enamine_001598
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | 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 |
|---|---|---|---|---|---|
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 0.4263 | 0.5 | |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.7016 | 0.4799 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.7016 | 0.7016 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0438 | 0.0438 |
| Onchocerca volvulus | 0.0033 | 0.4263 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.4263 | 0.4263 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.4263 | 0.4263 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.4263 | 0.4263 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7016 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.4263 | 0.4263 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7016 | 0.5 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7016 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.4263 | 0.4001 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.7016 | 0.7016 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.7016 | 0.4799 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.4263 | 0.4001 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.7016 | 0.5 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.4263 | 0.4263 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.7016 | 0.688 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.4113 | 0.4113 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.4263 | 0.4263 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.4263 | 0.4263 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.4263 | 0.4263 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.4263 | 0.4263 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 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) | 19.9526 uM | PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 28.1838 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 70.7946 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 100 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
| 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: CHEMBL3195362
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.