Detailed information for compound 1363223
Basic information
Technical information
- TDR Targets ID: 1363223
- Name: 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-5-(1 ,2,4-triazol-4-yl)benzamide
- MW: 369.805 | Formula: C18H16ClN5O2
-
H donors: 1
H acceptors: 4
LogP: 2.01
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CN(C(=O)c1ccc(cc1)NC(=O)c1cc(ccc1Cl)n1cnnc1)C
- InChi: 1S/C18H16ClN5O2/c1-23(2)18(26)12-3-5-13(6-4-12)22-17(25)15-9-14(7-8-16(15)19)24-10-20-21-11-24/h3-11H,1-2H3,(H,22,25)
- InChiKey: XNWZTSGVFCMIDA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-chloro-N-[4-(dimethylamino-oxomethyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
- AN-465/42834310
- 2-chloro-N-{4-[(dimethylamino)carbonyl]phenyl}-5-(4H-1,2,4-triazol-4-yl)benzamide
- MLS000701952
- SMR000228904
- ZINC00679768
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.0293 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.0293 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.0114 | 0.0293 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Mycobacterium ulcerans | secreted antigen 85-C FbpC | 0.1971 | 1 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.0293 | 0.5 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.0293 | 0.5 |
| Mycobacterium tuberculosis | Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) | 0.1971 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.0293 | 0.5 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.0293 | 1 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.0293 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.0293 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.0293 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.0293 | 0.5 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.0293 | 0.5 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.0114 | 0.0293 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 16.8336 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
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: CHEMBL1493347
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.