Detailed information for compound 1773375
Basic information
Technical information
- Name: Unnamed compound
- MW: 398.844 | Formula: C23H15ClN4O
-
H donors: 2
H acceptors: 3
LogP: 4.39
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc2c(c1)/C(=C\c1ccc3c(c1)[nH]nc3/C=C/c1ccncc1)/C(=O)N2
- InChi: 1S/C23H15ClN4O/c24-16-3-6-20-18(13-16)19(23(29)26-20)11-15-1-4-17-21(27-28-22(17)12-15)5-2-14-7-9-25-10-8-14/h1-13H,(H,26,29)(H,27,28)/b5-2+,19-11+
- InChiKey: VFYXAFQACZHFRL-NHSDSWEZSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polo-like kinase 3 | Starlite/ChEMBL | References |
| Homo sapiens | polo-like kinase 2 | Starlite/ChEMBL | References |
| Homo sapiens | polo-like kinase 4 | Starlite/ChEMBL | References |
| Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | 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 |
|---|---|---|---|---|
| Echinococcus multilocularis | Serine:threonine protein kinase PLK4 | 0.0136 | 0.2628 | 0.2628 |
| Schistosoma mansoni | transient receptor potential channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.009 | 0.1347 | 0.1347 |
| Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.00000059759 | 0.00000059759 |
| Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.00000059759 | 0.00000059759 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0054 | 0.0332 | 0.0332 |
| Trypanosoma brucei | polo-like protein kinase | 0.04 | 1 | 1 |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.009 | 0.1347 | 0.1347 |
| Echinococcus granulosus | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Toxoplasma gondii | transporter, cation channel family protein | 0.0042 | 0 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.009 | 0.1347 | 0.1347 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.009 | 0.1347 | 0.1347 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0222 | 0.5037 | 0.5 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.04 | 1 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.017 | 0.3575 | 0.3575 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0054 | 0.0332 | 0.0332 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.04 | 1 | 1 |
| Schistosoma mansoni | transient receptor potential channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Toxoplasma gondii | 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein | 0.0042 | 0 | 0.5 |
| Echinococcus granulosus | calcium activated potassium channel | 0.0043 | 0.0041 | 0.0041 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.04 | 1 | 1 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.009 | 0.1347 | 0.1347 |
| Schistosoma mansoni | kinase | 0.0366 | 0.9053 | 0.9053 |
| Toxoplasma gondii | hypothetical protein | 0.0042 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.00000059759 | 0.00000059759 |
| Echinococcus granulosus | Serine:threonine protein kinase PLK4 | 0.0136 | 0.2628 | 0.2628 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.04 | 1 | 1 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.04 | 1 | 1 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.009 | 0.1347 | 0.1347 |
| Echinococcus granulosus | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.009 | 0.1347 | 0.1347 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0054 | 0.0332 | 0.0332 |
| Toxoplasma gondii | transporter, cation channel family protein | 0.0042 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.0332 | 0.0332 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.04 | 1 | 1 |
| Toxoplasma gondii | hypothetical protein | 0.0042 | 0 | 0.5 |
| Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.04 | 1 | 1 |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Giardia lamblia | Kinase, PLK | 0.04 | 1 | 0.5 |
| Echinococcus multilocularis | calcium activated potassium channel | 0.0043 | 0.0041 | 0.0041 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.04 | 1 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.017 | 0.3575 | 0.3575 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Echinococcus granulosus | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.04 | 1 | 1 |
| Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.04 | 1 | 1 |
| Toxoplasma gondii | 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein | 0.0042 | 0 | 0.5 |
| Brugia malayi | olfactory channel protein osm-9 | 0.0042 | 0.00000059759 | 0.00000059759 |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0042 | 0.00000059759 | 0.00000059759 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.009 | 0.1347 | 0.1347 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.009 | 0.1347 | 0.1347 |
| Toxoplasma gondii | transporter, cation channel family protein | 0.0042 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| GI50 (functional) | > 50 uM | Antiproliferative activity against human HCC1954 cells assessed as growth inhibition after 5 days by SRB assay | ChEMBL. | 23829549 |
| IC50 (binding) | = 2.3 nM | Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ELISA assay | ChEMBL. | 23829549 |
| IC50 (binding) | > 10 uM | Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay | ChEMBL. | 23829549 |
| IC50 (binding) | > 10 uM | Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay | ChEMBL. | 23829549 |
| IC50 (binding) | > 10 uM | Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay | ChEMBL. | 23829549 |
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: CHEMBL2407750
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.