Detailed information for compound 1642871

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.353 | Formula: C15H13FN4OS
  • H donors: 1 H acceptors: 2 LogP: 2.84 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/N=C\1/NC(=O)/C(=C/c2cnn(c2C)c2ccc(cc2)F)/S1
  • InChi: 1S/C15H13FN4OS/c1-9-10(7-13-14(21)19-15(17-2)22-13)8-18-20(9)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,21)/b13-7-
  • InChiKey: NPYKTDNPVWWGGP-QPEQYQDCSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sphingosine-1-phosphate receptor 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) acetylcholine receptor alpha subunit 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0029 0.0163 0.0163
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0215 1 0.5
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0029 0.0163 0.0163
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0845 0.0693
Loa Loa (eye worm) hypothetical protein 0.0036 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Leishmania major eukaryotic initiation factor 4a, putative 0.0215 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0215 1 1
Brugia malayi Cation transporter family protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) ACC-1 protein 0.0029 0.0163 0.0163
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi excitatory GABA receptor EXP-1A 0.0029 0.0163 0.0163
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0215 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0029 0.0163 0.0163
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0029 0.0163 0.0163
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0845 0.0845
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) ACC-1 protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) LGC-31 protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0845 0.0693
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0215 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0215 1 1
Loa Loa (eye worm) hypothetical protein 0.0215 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Leishmania major eukaryotic initiation factor 4a, putative 0.0215 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0215 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0215 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0845 0.0845
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0029 0.0163 0.0163
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0029 0.0163 0.0163
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0029 0.0163 0.0163
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0215 1 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0215 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0215 1 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1046 0.0897
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0215 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1046 0.0897
Echinococcus granulosus eukaryotic initiation factor 4A 0.0215 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0215 1 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0029 0.0163 0.0163
Plasmodium falciparum eukaryotic initiation factor 4A 0.0215 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0029 0.0163 0.0163
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi Cation transporter family protein 0.0029 0.0163 0.0163
Plasmodium vivax RNA helicase-1, putative 0.0215 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0215 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0029 0.0163 0.0163
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0215 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0215 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0215 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0163
Brugia malayi Cation transporter family protein 0.0029 0.0163 0.0163
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0029 0.0163 0.0163
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0215 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0163 0.0163

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3800 nM Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein assessed as migration of VP16-GAL4 into nucleus by FRET based beta lactamase reporter gene assay ChEMBL. 21982495

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.