Detailed information for compound 1343125
Basic information
Technical information
- TDR Targets ID: 1343125
- Name: 2-[5-[(3-chlorophenyl)methylsulfanyl]-3-oxo-2 H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenyle thyl)acetamide
- MW: 503.015 | Formula: C27H23ClN4O2S
-
H donors: 1
H acceptors: 2
LogP: 4.84
Rotable bonds: 9
Rule of 5 violations (Lipinski): 2 - SMILES: Clc1cccc(c1)CSc1nc2ccccc2c2=NC(C(=O)n12)CC(=O)NCCc1ccccc1
- InChi: 1S/C27H23ClN4O2S/c28-20-10-6-9-19(15-20)17-35-27-31-22-12-5-4-11-21(22)25-30-23(26(34)32(25)27)16-24(33)29-14-13-18-7-2-1-3-8-18/h1-12,15,23H,13-14,16-17H2,(H,29,33)
- InChiKey: RSPQCACXHLGZOI-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[5-[(3-chlorophenyl)methylthio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
- 2-[5-[(3-chlorobenzyl)thio]-3-keto-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
- 2-[5-[(3-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)ethanamide
- K279-1548
- NCGC00138647-01
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Equus caballus | Ferritin light chain | 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 granulosus | expressed protein | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 146 aa | 28.8 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 43.9 % |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
| Schistosoma mansoni | apoferritin-2 | Ferritin light chain | 175 aa | 142 aa | 29.6 % |
| Schistosoma mansoni | ferritin | Ferritin light chain | 175 aa | 171 aa | 44.4 % |
| Echinococcus multilocularis | expressed protein | Ferritin light chain | 175 aa | 146 aa | 30.1 % |
| Schistosoma japonicum | Ferritin, putative | Ferritin light chain | 175 aa | 144 aa | 24.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.246 | 0.246 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.2561 | 0.2353 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 0.2561 | 0.5 | |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.2561 | 0.2561 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.724 | 0.724 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2561 | 0.2353 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.4015 | 0.4015 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.724 | 0.724 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.2561 | 0.2353 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.2561 | 0.2353 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0271 | 0.0271 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0271 | 0.0271 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.724 | 0.724 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0019 | 0.0271 | 0.0271 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.2561 | 0.2353 |
| Echinococcus granulosus | lamin | 0.0033 | 0.2561 | 0.2353 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.2561 | 0.2561 |
| Onchocerca volvulus | 0.0033 | 0.2561 | 0.5 | |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.4015 | 0.3848 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.2561 | 0.2561 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.2561 | 0.2353 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.724 | 0.724 |
| Schistosoma mansoni | lamin | 0.0033 | 0.2561 | 0.2353 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0019 | 0.0271 | 0.0271 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.4015 | 0.4015 |
| Brugia malayi | TAR-binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.2561 | 0.2353 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.2561 | 0.2561 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.2561 | 0.2561 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.1623 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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: CHEMBL1481896
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.