Detailed information for compound 1540919
Basic information
Technical information
- TDR Targets ID: 1540919
- Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl) imidazo[2,1-b][1,3]benzothiazole-6-carboxamid e
- MW: 462.607 | Formula: C26H30N4O2S
-
H donors: 1
H acceptors: 2
LogP: 5.8
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)C(=O)NCCCN1CCCCCC1
- InChi: 1S/C26H30N4O2S/c1-32-21-10-7-19(8-11-21)22-18-30-23-12-9-20(17-24(23)33-26(30)28-22)25(31)27-13-6-16-29-14-4-2-3-5-15-29/h7-12,17-18H,2-6,13-16H2,1H3,(H,27,31)
- InChiKey: HFFXYZFPSHTVQT-UHFFFAOYSA-N
Network
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Synonyms
- N-[3-(1-azepanyl)propyl]-2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolecarboxamide
- E235-0476
- NCGC00121825-01
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 | polymerase (DNA directed) kappa | 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 |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.4695 | 0.4695 |
| Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0367 | 0.0489 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.002 | 0.0595 | 0.0792 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.005 | 0.7516 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.005 | 0.7516 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.005 | 0.7516 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.5541 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0042 | 0.5652 | 0.7519 |
| Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0367 | 0.0663 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0025 | 0.1865 | 1 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0367 | 0.0367 |
| Echinococcus granulosus | GPCR family 2 | 0.0019 | 0.0367 | 0.0489 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.005 | 0.7516 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.002 | 0.0595 | 0.0792 |
| Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0367 | 0.0663 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0038 | 0.4695 | 0.6246 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0019 | 0.0367 | 0.0367 |
| Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0367 | 0.0663 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0367 | 0.0489 |
| Echinococcus multilocularis | dna polymerase kappa | 0.005 | 0.7516 | 1 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0025 | 0.1865 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Echinococcus granulosus | dna polymerase kappa | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | unspecified product | 0.0042 | 0.5652 | 0.7519 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.002 | 0.0595 | 0.0792 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Brugia malayi | polk-prov protein | 0.0038 | 0.4695 | 0.4695 |
| Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0367 | 0.0489 |
| Leishmania major | DNA polymerase kappa, putative | 0.0025 | 0.1865 | 1 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0019 | 0.0367 | 0.0367 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0017 | 0 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0038 | 0.4695 | 0.6246 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Echinococcus multilocularis | GPCR, family 2 | 0.0019 | 0.0367 | 0.0489 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.005 | 0.7516 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.5541 | 0.5541 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0367 | 0.0367 |
| Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0367 | 0.0489 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.5541 | 0.5541 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.005 | 0.7516 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0025 | 0.1865 | 0.2481 |
| Giardia lamblia | DINP protein human, muc B family | 0.0025 | 0.1865 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0367 | 0.0663 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 11.9173 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 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) | 19.9526 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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 Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 37.933 uM | PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | 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: CHEMBL1887168
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.