Detailed information for compound 952148

Basic information

Technical information
  • TDR Targets ID: 952148
  • Name: N-[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]me thanesulfonamide
  • MW: 340.4 | Formula: C17H16N4O2S
  • H donors: 2 H acceptors: 4 LogP: 2.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)Nc1cccc(c1)Nc1ncnc(c1)c1ccccc1
  • InChi: 1S/C17H16N4O2S/c1-24(22,23)21-15-9-5-8-14(10-15)20-17-11-16(18-12-19-17)13-6-3-2-4-7-13/h2-12,21H,1H3,(H,18,19,20)
  • InChiKey: RPLQRJLTIZASFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[(6-phenyl-4-pyrimidinyl)amino]phenyl]methanesulfonamide

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
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0228 1
Schistosoma mansoni hypothetical protein 0.0309 0.4217 0.434
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.117 0.1203
Loa Loa (eye worm) hypothetical protein 0.0026 0.027 0.0259
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.9718 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0011 0.0012
Echinococcus granulosus calpain 7 C02 family 0.0021 0.0192 0.0197
Echinococcus granulosus cpg binding protein 0.003 0.0324 0.0333
Schistosoma mansoni caspase-7 (C14 family) 0.0061 0.0758 0.078
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0244 0.0159
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0058 0.0707 0.0728
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0198 0.0023
Echinococcus multilocularis smad 0.0008 0.0011 0.0012
Echinococcus granulosus dnaJ subfamily B 0.0409 0.5608 0.577
Onchocerca volvulus 0.0061 0.0758 0.1271
Mycobacterium ulcerans peptide deformylase 0.0227 0.3072 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.1111 0.1017
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0298 0.4066 0.4184
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0192 0.0197
Schistosoma mansoni intermediate filament proteins 0.0027 0.0277 0.0285
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0198 0.0187
Plasmodium vivax peptide deformylase, putative 0.0227 0.3072 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0305 0.0393
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0198 0.0095
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Schistosoma mansoni lamin 0.0027 0.0277 0.0285
Schistosoma mansoni lamin 0.0027 0.0277 0.0285
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0011 0.0012
Leishmania major GTP-binding protein, putative 0.0021 0.0198 0.0095
Echinococcus granulosus lamin 0.0027 0.0277 0.0285
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0021 0.0192 0.0088
Echinococcus granulosus geminin 0.0165 0.2208 0.2272
Loa Loa (eye worm) hypothetical protein 0.0298 0.4066 0.4059
Brugia malayi hypothetical protein 0.0061 0.0758 0.0748
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0102 0.0091
Schistosoma mansoni hypothetical protein 0.0011 0.0054 0.0056
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0198 0.0095
Schistosoma mansoni smad1 5 8 and 0.0008 0.0011 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.117 0.1203
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Brugia malayi CXXC zinc finger family protein 0.0029 0.0301 0.029
Echinococcus granulosus Smad4 0.0008 0.0011 0.0012
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0198 0.0187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.117 0.116
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.1111 0.1017
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0011 0.0012
Echinococcus granulosus inhibitor of apoptosis protein 0.0298 0.4066 0.4184
Echinococcus multilocularis lamin 0.0027 0.0277 0.0285
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.1111 0.1017
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0277 0.0266
Echinococcus granulosus calpain 5 0.0021 0.0192 0.0197
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0227 0.3072 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.117 0.1203
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0192 0.0088
Trypanosoma brucei antigen, putative 0.0021 0.0192 0.0088
Schistosoma mansoni hypothetical protein 0.0298 0.4066 0.4184
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0198 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.0082 0.0071
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0298 0.4066 0.4184
Loa Loa (eye worm) calpain 5 0.0015 0.0104 0.0093
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0082 0.0084
Echinococcus granulosus calpain A 0.0058 0.0707 0.0728
Onchocerca volvulus 0.0029 0.0301 0.0064
Loa Loa (eye worm) hypothetical protein 0.0049 0.0585 0.0574
Brugia malayi calpain family protein 1 0.0055 0.0672 0.0662
Echinococcus granulosus apoptotic protease activating factor 1 0.0061 0.0758 0.078
Onchocerca volvulus 0.0298 0.4066 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0672 0.0662
Echinococcus multilocularis lamin dm0 0.0027 0.0277 0.0285
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0244 0.0141
Echinococcus multilocularis gamma secretase subunit aph 1 0.0249 0.3385 0.3483
Loa Loa (eye worm) hypothetical protein 0.0041 0.0469 0.0458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.117 0.1203
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0244 0.0159
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1526 0.1517
Loa Loa (eye worm) hypothetical protein 0.0298 0.4066 0.4059
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0024 0.0025
Brugia malayi intermediate filament protein 0.0027 0.0277 0.0266
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0244 0.0181
Trypanosoma brucei Polypeptide deformylase 1 0.0087 0.1111 0.1017
Onchocerca volvulus Deterin homolog 0.0298 0.4066 1
Toxoplasma gondii hypothetical protein 0.0227 0.3072 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0054 0.0056
Schistosoma mansoni hypothetical protein 0.0061 0.0758 0.078
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0227 0.3072 0.5
Schistosoma mansoni Smad4 0.0008 0.0011 0.0012
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0305 0.0371
Echinococcus granulosus lamin dm0 0.0027 0.0277 0.0285
Echinococcus granulosus smad 0.0008 0.0011 0.0012
Trypanosoma brucei Aph-1 protein, putative 0.0097 0.1258 0.1166
Schistosoma mansoni calpain C (C02 family) 0.0021 0.0192 0.0197
Loa Loa (eye worm) calpain 0.0021 0.0192 0.0181
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0244 0.0141
Loa Loa (eye worm) hypothetical protein 0.0034 0.0381 0.037
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.066 0.1606
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0054 0.0056
Schistosoma mansoni Mername-AA248 (C02 family) 0.0021 0.0192 0.0197
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.117 0.116
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0058 0.0707 0.0728
Echinococcus granulosus gamma secretase subunit aph 1 0.0249 0.3385 0.3483
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0228 0.0126
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0024 0.0025
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0244 0.0159
Echinococcus granulosus calpain 0.0021 0.0192 0.0197
Brugia malayi Importin beta-1 subunit 0.0029 0.0305 0.0294
Loa Loa (eye worm) calpain family protein 1 0.0041 0.0469 0.0458
Echinococcus granulosus snurportin 1 0.0309 0.4217 0.434
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0102 0.0091
Loa Loa (eye worm) hypothetical protein 0.0027 0.0277 0.0266
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0672 0.0662
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0305 0.0314
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0301 0.029
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0228 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.0249 0.3385 0.3483
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0064
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0228 1
Leishmania major hypothetical protein, conserved 0.0025 0.0244 0.0141
Echinococcus granulosus microtubule associated protein 2 0.0703 0.9718 1
Echinococcus multilocularis calpain 5 0.0021 0.0192 0.0197
Echinococcus multilocularis Smad4 0.0008 0.0011 0.0012
Brugia malayi hypothetical protein 0.0016 0.0122 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.117 0.1203
Brugia malayi gamma-secretase subunit aph-1 0.0249 0.3385 0.3378
Echinococcus granulosus caspase 2 0.0061 0.0758 0.078
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0309 0.4217 0.4211
Schistosoma mansoni inhibitor of apoptosis protein 0.0298 0.4066 0.4184
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0024 0.0013
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Echinococcus multilocularis calpain A 0.0058 0.0707 0.0728
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Echinococcus multilocularis hypothetical protein 0.0021 0.0192 0.0197
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0227 0.3072 0.5
Plasmodium falciparum peptide deformylase 0.0227 0.3072 1
Schistosoma mansoni cpg binding protein 0.003 0.0324 0.0333
Echinococcus multilocularis geminin 0.0165 0.2208 0.2272
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0011 0.0012
Loa Loa (eye worm) hypothetical protein 0.0029 0.0305 0.0294
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0198 0.0204
Schistosoma mansoni cpg binding protein 0.0029 0.0301 0.031
Echinococcus multilocularis snurportin 1 0.0309 0.4217 0.434
Echinococcus granulosus calpain A 0.0021 0.0192 0.0197
Echinococcus multilocularis musashi 0.0027 0.0277 0.0285
Leishmania major importin beta-1 subunit, putative 0.0023 0.0228 0.0126
Leishmania major polypeptide deformylase-like protein, putative 0.0087 0.1111 0.1017
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0672 0.0692
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0011 0.0012
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0244 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.117 0.1203
Echinococcus granulosus importin subunit beta 1 0.0029 0.0305 0.0314
Loa Loa (eye worm) hypothetical protein 0.0723 1 1
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0192 0.0088
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.1111 0.1017
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0723 1 1
Schistosoma mansoni hypothetical protein 0.0409 0.5608 0.577
Echinococcus multilocularis apoptotic protease activating factor 1 0.0061 0.0758 0.078
Entamoeba histolytica Ran family GTPase 0.0021 0.0198 0.7563
Loa Loa (eye worm) hypothetical protein 0.0025 0.0244 0.0233
Schistosoma mansoni hypothetical protein 0.0165 0.2208 0.2272
Chlamydia trachomatis peptide deformylase 0.0227 0.3072 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.075 0.0772
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0058 0.0707 0.0728
Brugia malayi calpain family protein 1 0.0055 0.0672 0.0662
Leishmania major C-8 sterol isomerase-like protein 0.0723 1 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0011 0.0012
Brugia malayi RNA, U transporter 1 0.0082 0.105 0.104
Echinococcus multilocularis cpg binding protein 0.003 0.0324 0.0333
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Entamoeba histolytica hypothetical protein 0.0023 0.0228 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0198 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0305 0.0203
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0058 0.0707 0.0728
Loa Loa (eye worm) hypothetical protein 0.0061 0.0758 0.0748
Schistosoma mansoni ran 0.0021 0.0198 0.0204
Schistosoma mansoni hypothetical protein 0.0165 0.2208 0.2272
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0249 0.3385 0.3378
Schistosoma mansoni importin beta-1 0.0029 0.0305 0.0314
Echinococcus multilocularis inhibitor of apoptosis protein 0.0298 0.4066 0.4184
Trypanosoma brucei Peptide deformylase 2 0.0087 0.1111 0.1017
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0198 0.0204
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1526 0.1517
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0082 0.0084
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Treponema pallidum polypeptide deformylase (def) 0.0227 0.3072 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0723 1 1
Echinococcus multilocularis caspase 2 0.0061 0.0758 0.078
Loa Loa (eye worm) hypothetical protein 0.0061 0.0758 0.0748
Trypanosoma cruzi Aph-1 protein, putative 0.0097 0.1258 0.1166
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0305 0.0203
Onchocerca volvulus Cell death protein 3 homolog 0.0061 0.0758 0.1271
Brugia malayi calpain 7 0.0021 0.0192 0.0181
Brugia malayi hypothetical protein 0.0025 0.0244 0.0233
Onchocerca volvulus 0.0034 0.0381 0.0275
Echinococcus multilocularis calpain 7 (C02 family) 0.0021 0.0192 0.0197
Schistosoma mansoni ran 0.0021 0.0198 0.0204
Brugia malayi calpain 5 0.0015 0.0104 0.0093
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.9718 1
Brugia malayi MH2 domain containing protein 0.0116 0.1526 0.1517
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0023 0.0012
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0298 0.4066 0.4059
Echinococcus multilocularis dnaJ subfamily B 0.0409 0.5608 0.577
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0011 0.0012
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0192 0.0088
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0192 0.0088
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0064
Schistosoma mansoni cpg binding protein 0.003 0.0324 0.0333
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0298 0.4066 0.4059
Plasmodium falciparum importin beta, putative 0.0029 0.0305 0.0371
Loa Loa (eye worm) hypothetical protein 0.037 0.5062 0.5057
Schistosoma mansoni calpain (C02 family) 0.0021 0.0192 0.0197
Trypanosoma cruzi Aph-1 protein, putative 0.0097 0.1258 0.1166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.117 0.1203
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0277 0.0266
Echinococcus granulosus intermediate filament protein 0.0027 0.0277 0.0285
Echinococcus multilocularis calpain 0.0021 0.0192 0.0197
Echinococcus multilocularis calpain family protein 1, d 0.0041 0.0469 0.0482
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0298 0.4066 0.4184
Brugia malayi Cell death protein 3 precursor 0.0061 0.0758 0.0748
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0192 0.0197
Schistosoma mansoni smad 0.0008 0.0011 0.0012
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0021 0.0192 0.0088
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0277 0.0266
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0192 0.0088

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 400 uM Inhibition of BACE1 ChEMBL. 19036583

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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