Detailed information for compound 1525728

Basic information

Technical information
  • TDR Targets ID: 1525728
  • Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-f luorobenzenesulfonamide
  • MW: 352.771 | Formula: C14H10ClFN4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1n1cncn1
  • InChi: 1S/C14H10ClFN4O2S/c15-10-1-6-14(20-9-17-8-18-20)13(7-10)19-23(21,22)12-4-2-11(16)3-5-12/h1-9,19H
  • InChiKey: MSIPWVKVSZYKSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluoro-benzenesulfonamide
  • T5561671
  • ZINC08053024

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0096 0.1157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0092 0.1113
Leishmania major hypothetical protein, conserved 0.0028 0.0047 0.0898
Schistosoma mansoni hypothetical protein 0.0043 0.0116 0.1411
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0231 1
Leishmania major cathepsin L-like protease 0.0069 0.0231 0.441
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0096 0.1157
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0096 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.0096 0.0096
Trichomonas vaginalis esterase, putative 0.0039 0.0096 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0092 0.0851
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0134 0.0524 0.644
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.104 0.0953
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Leishmania major cathepsin L-like protease 0.0018 0.0002 0.0038
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0204 0.8834
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0524 0.0524
Schistosoma mansoni hypothetical protein 0.0038 0.0092 0.1113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.012 0.0463 0.4275
Onchocerca volvulus 0.0039 0.0096 1
Entamoeba histolytica hypothetical protein 0.0043 0.0116 1
Schistosoma mansoni hypothetical protein 0.0198 0.0812 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0047 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0002 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0047 0.2036
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0092 0.0851
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0018
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0116 0.1411
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0524 0.0524
Leishmania major hypothetical protein, conserved 0.0039 0.0096 0.1828
Onchocerca volvulus 0.0039 0.0096 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.0524 0.644
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0096 0.0884
Toxoplasma gondii ABC1 family protein 0.0039 0.0096 0.1797
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Brugia malayi beta-lactamase 0.0039 0.0096 0.0884
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Leishmania major cathepsin L-like protease 0.0018 0.0002 0.0038
Leishmania major cathepsin L-like protease 0.0069 0.0231 0.441
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0092 0.1113
Entamoeba histolytica hypothetical protein 0.0043 0.0116 1
Echinococcus granulosus GPCR family 2 0.0038 0.0092 0.1113
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0134 0.0524 0.644
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.0524 0.644
Brugia malayi follicle stimulating hormone receptor 0.0258 0.1083 1
Brugia malayi hypothetical protein 0.0043 0.0116 0.1073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0092 0.0851
Loa Loa (eye worm) cysteine protease 0.0018 0.0002 0.0018
Brugia malayi beta-lactamase family protein 0.0039 0.0096 0.0884
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0231 1
Mycobacterium ulcerans histidinol dehydrogenase 0.2237 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0231 1
Schistosoma mansoni hypothetical protein 0.0038 0.0092 0.1113
Loa Loa (eye worm) fibroinase 0.0018 0.0002 0.0018
Leishmania major cathepsin L-like protease 0.0018 0.0002 0.0038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0116 0.1411
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0047 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0096 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0002 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.0524 0.0524
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0164 0.7123
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0096 0.4144
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0052 0.0478
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0291 0.269
Schistosoma mansoni hypothetical protein 0.0082 0.0291 0.3572
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0047 0.2036
Loa Loa (eye worm) hypothetical protein 0.0038 0.0092 0.0851
Entamoeba histolytica hypothetical protein 0.0043 0.0116 1
Leishmania major cathepsin L-like protease 0.0069 0.0231 0.441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0463 0.4275
Brugia malayi beta-lactamase family protein 0.0039 0.0096 0.0884
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0231 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.1083 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.0092 0.1113
Echinococcus granulosus geminin 0.0198 0.0812 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0047 0.4806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0116 0.1411
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0096 1
Schistosoma mansoni hypothetical protein 0.0038 0.0092 0.1113
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0096 0.4144
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0463 0.4275
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.2237 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0096 0.0884
Leishmania major cathepsin L-like protease 0.0018 0.0002 0.0038
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0047 0.0864
Onchocerca volvulus 0.0039 0.0096 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0047 0.2036
Mycobacterium ulcerans lipase LipD 0.0039 0.0096 0.0096
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0002 0.0038
Brugia malayi hypothetical protein 0.0018 0.0002 0.002
Entamoeba histolytica hypothetical protein 0.0043 0.0116 1
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0002 0.0085
Loa Loa (eye worm) beta-lactamase 0.0039 0.0096 0.0884
Toxoplasma gondii aldehyde dehydrogenase 0.0134 0.0524 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0291 0.269
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0092 0.1113
Loa Loa (eye worm) ctsf protein 0.0018 0.0002 0.0018
Echinococcus multilocularis geminin 0.0198 0.0812 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0018
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0002 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0096 0.1157
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0096 0.4144
Brugia malayi hypothetical protein 0.0028 0.0047 0.0434
Schistosoma mansoni hypothetical protein 0.0038 0.0092 0.1113
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0884
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0434
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0134 0.0524 1
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0096 0.0096
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0231 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0052 0.0478
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0134 0.0524 0.0432
Leishmania major cathepsin L-like protease 0.0018 0.0002 0.0038
Schistosoma mansoni hypothetical protein 0.0198 0.0812 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0463 0.4275
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0092 0.1113
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0096 0.1157

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 15.15 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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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