Detailed information for compound 1308225

Basic information

Technical information
  • TDR Targets ID: 1308225
  • Name: N-[4-(phenylsulfonylamino)phenyl]pyridine-3-c arboxamide
  • MW: 353.395 | Formula: C18H15N3O3S
  • H donors: 2 H acceptors: 4 LogP: 2.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)Nc1ccc(cc1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C18H15N3O3S/c22-18(14-5-4-12-19-13-14)20-15-8-10-16(11-9-15)21-25(23,24)17-6-2-1-3-7-17/h1-13,21H,(H,20,22)
  • InChiKey: BFUBIDBXYQISED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(phenylsulfonylamino)phenyl]-3-pyridinecarboxamide
  • N-[4-(phenylsulfonylamino)phenyl]nicotinamide
  • ZINC00892344
  • N-(4-Benzenesulfonylamino-phenyl)-nicotinamide
  • MLS000713476
  • SMR000272957
  • ASN 01516584

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0043 0.2189 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0657 0.2052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.017 0.0531
Echinococcus granulosus ferritin 0.0009 0.0246 0.0285
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2189 0.7545
Entamoeba histolytica hypothetical protein 0.0043 0.2189 0.5
Schistosoma mansoni apoferritin-2 0.0009 0.0246 0.0769
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0246 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.2578 0.8958
Schistosoma mansoni hypothetical protein 0.0034 0.1689 0.5275
Plasmodium falciparum ornithine aminotransferase 0.0026 0.1222 0.5
Schistosoma mansoni ferritin 0.0009 0.0246 0.0769
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0269 0.0369
Echinococcus granulosus cpg binding protein 0.0031 0.1479 0.4891
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2847 0.8891
Echinococcus multilocularis Aminotransferase class III 0.0026 0.1222 0.3932
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.1222 0.3715
Echinococcus granulosus GPCR family 2 0.0016 0.0657 0.1819
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.1222 0.1001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2847 1
Echinococcus multilocularis cpg binding protein 0.0031 0.1479 0.4891
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2578 0.896
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.1222 0.1001
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.1222 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.1222 0.3932
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.1222 0.1001
Schistosoma mansoni ferritin light chain 0.0009 0.0246 0.0769
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.1222 0.1001
Schistosoma mansoni hypothetical protein 0.0016 0.0657 0.2052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0657 0.1506
Mycobacterium tuberculosis Probable aminotransferase 0.0184 1 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.1222 0.1001
Echinococcus multilocularis ferritin 0.0009 0.0246 0.0285
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2578 0.896
Schistosoma mansoni cpg binding protein 0.0031 0.1479 0.4619
Trichomonas vaginalis ferritin, putative 0.0009 0.0246 0.0113
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.1222 0.1001
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2189 0.6838
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.2835 1
Schistosoma mansoni hypothetical protein 0.0043 0.2189 0.6838
Echinococcus granulosus expressed protein 0.0009 0.0246 0.0285
Echinococcus multilocularis expressed protein 0.0009 0.0246 0.0285
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2847 1
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.1222 0.1001
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.1222 0.3818
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2847 0.8891
Entamoeba histolytica hypothetical protein 0.0043 0.2189 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.1222 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.1689 0.5509
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2847 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0657 0.1819
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2847 1
Schistosoma mansoni ferritin 0.0009 0.0246 0.0769
Schistosoma mansoni ferritin 0.0009 0.0246 0.0769
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0657 0.1527
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.1222 0.3932
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2847 1
Mycobacterium ulcerans hypothetical protein 0.0184 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1689 0.552
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.3202 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.1387 0.4337
Schistosoma mansoni cpg binding protein 0.0031 0.1479 0.4619
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.1222 0.1001
Schistosoma mansoni cpg binding protein 0.0029 0.1387 0.4331
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0657 0.1527
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0657 0.1819
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.1222 0.1001
Brugia malayi hypothetical protein 0.0043 0.2189 0.7457
Schistosoma mansoni apoferritin-2 0.0009 0.0246 0.0769
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.2189 0.5
Echinococcus granulosus Aminotransferase class III 0.0026 0.1222 0.3932
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2847 0.8891
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 1 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0657 0.1819
Schistosoma mansoni ferritin 0.0009 0.0246 0.0769
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.1222 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0657 0.1819
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2847 1
Onchocerca volvulus 0.0029 0.1387 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2578 0.8958
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.1222 0.1001
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2189 0.7545
Echinococcus granulosus ornithine aminotransferase 0.0026 0.1222 0.3932
Schistosoma mansoni hypothetical protein 0.0016 0.0657 0.2052
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.1222 0.1001
Brugia malayi CXXC zinc finger family protein 0.0029 0.1387 0.4351
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.1222 0.1001
Schistosoma mansoni hypothetical protein 0.0016 0.0657 0.2052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0657 0.1506
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0657 0.1819
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 1 1
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.1222 0.1001
Schistosoma mansoni ferritin light chain 0.0009 0.0246 0.0769
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0269 0.0369

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 5.75 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5858 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) 0.6513 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) 4.6535 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) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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