Detailed information for compound 1737880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.786 | Formula: C14H12ClFN4O3S
  • H donors: 1 H acceptors: 4 LogP: 3.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(cc(c1)Cl)Nc1ccc2c(c1S(=O)(=O)N(C)C)non2
  • InChi: 1S/C14H12ClFN4O3S/c1-20(2)24(21,22)14-12(4-3-11-13(14)19-23-18-11)17-10-6-8(15)5-9(16)7-10/h3-7,17H,1-2H3
  • InChiKey: DOPBPZNHCPQZBD-UHFFFAOYSA-N  


Substructure search Similarity search

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 endothelial PAS domain protein 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
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
Mycobacterium ulcerans dehydrogenase 0.0064 0.0027 0.0241
Echinococcus multilocularis protoporphyrinogen oxidase 0.0064 0.0027 0.0024
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0027 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0064 0.0027 0.0024
Mycobacterium ulcerans oxidoreductase 0.0064 0.0027 0.0241
Echinococcus granulosus lysine specific histone demethylase 1A 0.0064 0.0027 0.0024
Echinococcus granulosus chromobox protein 1 0.0067 0.003 0.0027
Brugia malayi hypoxia-induced factor 1 0.0182 0.016 0.0725
Brugia malayi PAS domain containing protein 0.0059 0.0021 0.008
Loa Loa (eye worm) hypothetical protein 0.0197 0.0177 0.0151
Echinococcus multilocularis chromobox protein 1 0.0067 0.003 0.0027
Brugia malayi Heterochromatin protein 1 0.0067 0.003 0.0125
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0064 0.0027 0.003
Trichomonas vaginalis chromobox protein, putative 0.0067 0.003 1
Echinococcus granulosus chromobox protein 1 0.0067 0.003 0.0027
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0027 0.5
Brugia malayi SWIRM domain containing protein 0.0064 0.0027 0.011
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.016 0.0133
Brugia malayi Biopterin-dependent aromatic amino acid hydroxylase family protein 0.1951 0.2163 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0064 0.0027 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0064 0.0027 0.5
Schistosoma mansoni tyrosine 3-monooxygenase 0.1951 0.2163 1
Trichomonas vaginalis chromobox protein, putative 0.0067 0.003 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0851 0.0918 1
Schistosoma mansoni amine oxidase 0.0064 0.0027 0.003
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0064 0.0027 0.5
Loa Loa (eye worm) tryptophan hydroxylase 1 0.1951 0.2163 0.2142
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0064 0.0027 0.5
Schistosoma mansoni chromobox protein 0.0067 0.003 0.0045
Plasmodium falciparum protoporphyrinogen oxidase 0.0064 0.0027 0.5
Leishmania major phenylalanine-4-hydroxylase,phenylalanine-4-hydroxylase, putative 0.1951 0.2163 1
Echinococcus multilocularis chromobox protein 1 0.0067 0.003 0.0027
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0916 0.0991 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0064 0.0027 0.011
Onchocerca volvulus 0.0064 0.0027 1
Toxoplasma gondii aromatic amino acid hydrolase AAH1 0.1951 0.2163 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0064 0.0027 0.0241
Mycobacterium ulcerans monoamine oxidase 0.0064 0.0027 0.0241
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0064 0.0027 0.5
Toxoplasma gondii aromatic amino acid hydrolase AAH2 0.1951 0.2163 1
Brugia malayi hypothetical protein 0.0064 0.0027 0.011
Loa Loa (eye worm) hypothetical protein 0.8872 1 1
Schistosoma mansoni amine oxidase 0.0064 0.0027 0.003
Echinococcus multilocularis 0.0064 0.0027 0.0024
Toxoplasma gondii phenylalanine-4-hydroxylase 0.1951 0.2163 1
Schistosoma mansoni chromobox protein 0.0067 0.003 0.0045
Onchocerca volvulus 0.0043 0.0003 0.1207
Echinococcus multilocularis tryptophan hydroxylase 0.8872 1 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0064 0.0027 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0916 0.0991 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0064 0.0027 0.003
Trypanosoma cruzi UDP-galactopyranose mutase 0.0064 0.0027 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0064 0.0027 0.0024
Brugia malayi hypothetical protein 0.0197 0.0177 0.0805
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0064 0.0027 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.003 0.0003
Schistosoma mansoni tyrosine/tryptophan monooxygenase 0.1951 0.2163 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of GST-tagged PAS-B domain of HIF-2alpha-Flag-tagged PAS-B domain of ARNT heterodimerization (unknown origin) by luminescence proximity assay ChEMBL. 23363003
Kd (binding) = 5 uM Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis ChEMBL. 23363003

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.

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