Detailed information for compound 1276377

Basic information

Technical information
  • TDR Targets ID: 1276377
  • Name: N-[(4-fluorophenyl)methyl]-3,7-dimethyl-5-oxo -[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • MW: 367.418 | Formula: C15H14FN3O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNS(=O)(=O)c1c(C)nc2n(c1=O)c(C)cs2
  • InChi: 1S/C15H14FN3O3S2/c1-9-8-23-15-18-10(2)13(14(20)19(9)15)24(21,22)17-7-11-3-5-12(16)6-4-11/h3-6,8,17H,7H2,1-2H3
  • InChiKey: USHXIWHZASVAIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-fluorophenyl)methyl]-3,7-dimethyl-5-oxo-thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • N-[(4-fluorophenyl)methyl]-3,7-dimethyl-5-oxo-6-thiazolo[3,2-a]pyrimidinesulfonamide
  • N-(4-fluorobenzyl)-5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • ZINC06823638

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus multilocularis glutamate receptor NMDA 0.0082 0.048 0.0968
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Plasmodium vivax hypothetical protein, conserved 0.0085 0.051 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0104 0.0665 0.134
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0085 0.051 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0085 0.051 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Loa Loa (eye worm) carboxylesterase 0.0614 0.4963 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0085 0.051 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0085 0.051 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0086 0.0514 0.1035
Echinococcus multilocularis 0.0085 0.051 0.1028
Brugia malayi Carboxylesterase family protein 0.0614 0.4963 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0104 0.0665 0.134
Brugia malayi Carboxylesterase family protein 0.0104 0.0665 0.0348
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Toxoplasma gondii histone lysine-specific demethylase 0.0085 0.051 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0085 0.051 0.1028
Brugia malayi Carboxylesterase family protein 0.0104 0.0665 0.0348
Brugia malayi Carboxylesterase family protein 0.0614 0.4963 1
Echinococcus multilocularis nmda type glutamate receptor 0.009 0.0545 0.1099
Plasmodium vivax hypothetical protein, conserved 0.0085 0.051 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.051 0.5
Brugia malayi Carboxylesterase family protein 0.0104 0.0665 0.0348
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Leishmania major UDP-galactopyranose mutase 0.0085 0.051 0.5
Echinococcus multilocularis acetylcholinesterase 0.0614 0.4963 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0104 0.0665 0.134
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0085 0.051 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.0665 0.0348
Brugia malayi hypothetical protein 0.0104 0.0665 0.0348
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Echinococcus granulosus carboxylesterase 5A 0.0614 0.4963 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.0665 0.0348
Onchocerca volvulus 0.0104 0.0665 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0085 0.051 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0082 0.048 0.0968
Echinococcus multilocularis acetylcholinesterase 0.0614 0.4963 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0104 0.0665 0.0177
Brugia malayi Carboxylesterase family protein 0.0104 0.0665 0.0348
Echinococcus multilocularis neuroligin 0.0104 0.0665 0.134
Loa Loa (eye worm) acetylcholinesterase 1 0.0614 0.4963 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0085 0.051 0.1028
Mycobacterium ulcerans carboxylesterase, LipT 0.0104 0.0665 0.0163
Echinococcus granulosus nmda type glutamate receptor 0.0086 0.0514 0.1035
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0104 0.0665 0.0177
Echinococcus multilocularis carboxylesterase 5A 0.0614 0.4963 1
Echinococcus granulosus neuroligin 0.0104 0.0665 0.134
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1212 1 1
Echinococcus granulosus acetylcholinesterase 0.0614 0.4963 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0104 0.0665 0.5
Onchocerca volvulus 0.0104 0.0665 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0104 0.0665 0.0348
Echinococcus granulosus nmda type glutamate receptor 0.009 0.0545 0.1099
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.051 0.1028
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Schistosoma mansoni gliotactin 0.0104 0.0665 0.0348
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0614 0.4963 1
Echinococcus granulosus acetylcholinesterase 0.0614 0.4963 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0104 0.0665 0.134
Onchocerca volvulus 0.0104 0.0665 1
Loa Loa (eye worm) carboxylesterase 0.0104 0.0665 0.0348
Schistosoma mansoni glutamate receptor NMDA 0.0107 0.0689 0.0402
Schistosoma mansoni BC026374 protein (S09 family) 0.0104 0.0665 0.0348
Loa Loa (eye worm) hypothetical protein 0.0614 0.4963 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.0665 0.0348
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0085 0.051 0.5
Loa Loa (eye worm) carboxylesterase 0.0104 0.0665 0.0348
Echinococcus granulosus BC026374 protein S09 family 0.0104 0.0665 0.134
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.051 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.0665 0.0348
Onchocerca volvulus 0.0104 0.0665 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0104 0.0665 0.5
Schistosoma mansoni acetylcholinesterase 0.0104 0.0665 0.0348
Echinococcus granulosus para nitrobenzyl esterase 0.0104 0.0665 0.134
Loa Loa (eye worm) hypothetical protein 0.0614 0.4963 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.051 0.1028
Chlamydia trachomatis protoporphyrinogen oxidase 0.0085 0.051 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1127 0.9281 1
Onchocerca volvulus 0.0104 0.0665 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0104 0.0665 0.0177

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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