Detailed information for compound 1656904

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.28 | Formula: C15H13F2N3O
  • H donors: 2 H acceptors: 2 LogP: 2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)F)F)Nc1ccc(nc1)NC1CC1
  • InChi: 1S/C15H13F2N3O/c16-12-5-1-9(7-13(12)17)15(21)20-11-4-6-14(18-8-11)19-10-2-3-10/h1,4-8,10H,2-3H2,(H,18,19)(H,20,21)
  • InChiKey: UPNSUDVNCSCKTP-UHFFFAOYSA-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 potassium voltage-gated channel, KQT-like subfamily, member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma mansoni voltage-gated potassium channel KCNQ Get druggable targets OG5_129255 All targets in OG5_129255
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) voltage-gated potassium channel Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus potassium channel KvQLT family member kqt 1 Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255

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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1154 0.1178
Loa Loa (eye worm) hypothetical protein 0.0078 0.3271 0.334
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0174 1 1
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0078 0.3271 0.334
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1154 0.1154
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1154 0.1154
Onchocerca volvulus 0.0104 0.507 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1154 0.1154
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0174 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1154 0.1154
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0104 0.507 0.507
Loa Loa (eye worm) voltage-gated potassium channel 0.0171 0.9794 1
Onchocerca volvulus 0.0104 0.507 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0174 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.404 0.4126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1154 0.1154
Onchocerca volvulus 0.0104 0.507 1
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0078 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0104 0.507 0.5177
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1154 0.1154
Brugia malayi Cation transporter family protein 0.0104 0.507 0.507
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1154 0.1154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1154 0.1154
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0104 0.507 0.507
Loa Loa (eye worm) hypothetical protein 0.0104 0.507 0.5177
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0078 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0078 0.3271 0.334

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.7 uM Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction by liquid scintillation counting ChEMBL. 24900334

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.

External resources for this compound

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.