Detailed information for compound 1418967

Basic information

Technical information
  • TDR Targets ID: 1418967
  • Name: 3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amin o]benzoic acid
  • MW: 410.443 | Formula: C21H18N2O5S
  • H donors: 3 H acceptors: 5 LogP: 3.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(=O)O
  • InChi: 1S/C21H18N2O5S/c1-14-5-2-9-18(11-14)23-29(27,28)19-10-4-6-15(13-19)20(24)22-17-8-3-7-16(12-17)21(25)26/h2-13,23H,1H3,(H,22,24)(H,25,26)
  • InChiKey: JCHICBRDGFCIOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[[3-[(3-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid
  • 3-[[3-[(3-methylphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid
  • 3-(3-m-Tolylsulfamoyl-benzoylamino)-benzoic acid
  • BAS 00084662
  • CBDivE_007309

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.2408 0.4191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0527 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0203 0.3858
Leishmania major GTP-binding protein, putative 0.0026 0.0269 0.471
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Schistosoma mansoni ran 0.0026 0.0269 0.0067
Trypanosoma brucei unspecified product 0.0023 0.0203 0.3858
Entamoeba histolytica hypothetical protein 0.0028 0.0342 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0527 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0203 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0203 0.5
Plasmodium falciparum importin beta, putative 0.0035 0.0527 1
Schistosoma mansoni tar DNA-binding protein 0.021 0.5462 0.5368
Brugia malayi RNA recognition motif domain containing protein 0.021 0.5462 1
Schistosoma mansoni ran 0.0026 0.0269 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2408 0.225
Echinococcus granulosus importin subunit beta 1 0.0035 0.0527 0.0331
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.2408 0.225
Schistosoma mansoni importin beta-1 0.0035 0.0527 0.0331
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Brugia malayi RNA, U transporter 1 0.0099 0.2332 0.4048
Loa Loa (eye worm) RNA binding protein 0.021 0.5462 0.5368
Schistosoma mansoni hypothetical protein 0.0372 1 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0527 0.0616
Echinococcus multilocularis tar DNA binding protein 0.021 0.5462 0.5368
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0342 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0527 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.021 0.5462 0.5368
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0269 0.471
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.3858
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0269 0.0067
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.3858
Schistosoma mansoni tar DNA-binding protein 0.021 0.5462 0.5368
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0203 0.5
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0269 0.0124
Trichomonas vaginalis ran, putative 0.0026 0.0269 0.471
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0269 0.471
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2408 0.225
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2408 0.225
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0527 1
Echinococcus granulosus tar DNA binding protein 0.021 0.5462 0.5368
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0342 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2408 0.225
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0527 0.0331
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0342 1
Schistosoma mansoni tar DNA-binding protein 0.021 0.5462 0.5368
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0269 0.0067
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0203 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2408 0.225
Schistosoma mansoni tar DNA-binding protein 0.021 0.5462 0.5368
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2408 0.225
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0342 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0342 1
Loa Loa (eye worm) TAR-binding protein 0.021 0.5462 0.5368
Entamoeba histolytica Ran family GTPase 0.0026 0.0269 0.471
Brugia malayi RNA binding protein 0.021 0.5462 1
Brugia malayi TAR-binding protein 0.021 0.5462 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2408 0.225
Schistosoma mansoni tar DNA-binding protein 0.021 0.5462 0.5368
Loa Loa (eye worm) hypothetical protein 0.0035 0.0527 0.0331
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0269 0.5097
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0269 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0269 0.0067
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.3858
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.3858

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 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
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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) 25.2366 uM PUBCHEM_BIOASSAY: FLuc inhibitory activity for the follow-up compounds in a cell-based assay to assess the activity of miR-21. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.063 uM PUBCHEM_BIOASSAY: FLuc inhibitory activity for the follow-up compounds in a biochemical assay with 1mM ATP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6092 uM PUBCHEM_BIOASSAY: FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.