Detailed information for compound 1331938

Basic information

Technical information
  • TDR Targets ID: 1331938
  • Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3 -(4-morpholin-4-ylsulfonylphenyl)propanamide
  • MW: 484.568 | Formula: C24H28N4O5S
  • H donors: 1 H acceptors: 4 LogP: 2.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C24H28N4O5S/c1-18-23(24(30)28(26(18)2)20-6-4-3-5-7-20)25-22(29)13-10-19-8-11-21(12-9-19)34(31,32)27-14-16-33-17-15-27/h3-9,11-12H,10,13-17H2,1-2H3,(H,25,29)
  • InChiKey: CMFYMXRPWMSRFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-morpholinosulfonylphenyl)propanamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-morpholinosulfonylphenyl)propanamide
  • N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-(4-morpholinosulfonylphenyl)propionamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
  • T5595536
  • MLS000098184
  • SMR000061304
  • MLS001074814
  • ZINC03235270
  • Oprea1_568561
  • MLS000864092

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
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.054 0.5776
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Loa Loa (eye worm) cathepsin B 0.0045 0.0935 0.1339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1313 0.2525
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0017 0.0281 0.3001
Plasmodium falciparum plasmepsin IV 0.0017 0.0281 0.5196
Echinococcus granulosus cathepsin b 0.0137 0.309 0.4423
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0414 0.4429
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0281 0.0281
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.309 0.309
Brugia malayi RNA binding protein 0.0061 0.1313 0.2525
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0137 0.309 0.309
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0931 0.1332
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0931 0.0931
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Leishmania major importin beta-1 subunit, putative 0.0023 0.0414 0.4429
Plasmodium falciparum plasmepsin II 0.0017 0.0281 0.5196
Brugia malayi Importin beta-1 subunit 0.0028 0.054 0.1039
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0045 0.0935 1
Onchocerca volvulus 0.0017 0.0281 0.5
Toxoplasma gondii aspartyl protease 0.0017 0.0281 0.3001
Brugia malayi hypothetical protein 0.0017 0.0281 0.054
Giardia lamblia Cathepsin B precursor 0.0045 0.0935 1
Brugia malayi TAR-binding protein 0.0061 0.1313 0.2525
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0017 0.0281 0.0402
Brugia malayi cathepsin B-like cysteine proteinase 0.0137 0.309 0.594
Loa Loa (eye worm) hypothetical protein 0.0017 0.0281 0.0402
Plasmodium vivax aspartyl protease, putative 0.0017 0.0281 0.5196
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0364 0.07
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0364 0.0521
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0364 0.0521
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0137 0.309 0.4423
Plasmodium vivax plasmepsin V, putative 0.0017 0.0281 0.5196
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0045 0.0935 0.2095
Echinococcus multilocularis cathepsin b 0.0137 0.309 0.4423
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0414 0.4429
Plasmodium vivax plasmepsin IV, putative 0.0017 0.0281 0.5196
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0364 0.3896
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0931 0.1332
Giardia lamblia Cathepsin B precursor 0.0045 0.0935 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0364 0.8795
Plasmodium falciparum plasmepsin IX 0.0017 0.0281 0.5196
Plasmodium falciparum plasmepsin I 0.0017 0.0281 0.5196
Loa Loa (eye worm) RNA binding protein 0.0061 0.1313 0.188
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0364 0.6744
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.5201 0.7445
Echinococcus granulosus importin subunit beta 1 0.0028 0.054 0.0773
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0931 0.0931
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1313 0.1313
Entamoeba histolytica hypothetical protein 0.0023 0.0414 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0017 0.0281 0.054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0137 0.309 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.054 0.5776
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.309 0.309
Loa Loa (eye worm) hypothetical protein 0.0017 0.0281 0.0402
Echinococcus multilocularis snurportin 1 0.0303 0.6986 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Echinococcus multilocularis cathepsin b 0.0137 0.309 0.4423
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.054 0.5776
Brugia malayi RNA, U transporter 1 0.0081 0.1769 0.34
Plasmodium falciparum importin beta, putative 0.0028 0.054 1
Brugia malayi hypothetical protein 0.0017 0.0281 0.054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0281 0.0402
Leishmania major GTP-binding protein, putative 0.0021 0.0364 0.3896
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0281 0.5196
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0364 0.0521
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1313 0.1313
Loa Loa (eye worm) aspartyl protease 6 0.0017 0.0281 0.0402
Echinococcus granulosus cathepsin b 0.0137 0.309 0.4423
Toxoplasma gondii cathepsin B 0.0045 0.0935 1
Schistosoma mansoni importin beta-1 0.0028 0.054 0.054
Toxoplasma gondii aspartyl protease ASP3 0.0017 0.0281 0.3001
Trypanosoma brucei cysteine peptidase C (CPC) 0.0045 0.0935 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Plasmodium vivax importin-beta 2, putative 0.0028 0.054 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1313 0.1313
Plasmodium vivax aspartyl protease, putative 0.0017 0.0281 0.5196
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0364 0.3896
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1313 0.188
Brugia malayi Pepsin A precursor 0.0017 0.0281 0.054
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0017 0.0281 0.3001
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0364 0.6744
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0017 0.0281 0.3001
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0935 0.0935
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0017 0.0281 0.0402
Plasmodium falciparum plasmepsin VII 0.0017 0.0281 0.5196
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0935 1
Trichomonas vaginalis ran, putative 0.0021 0.0364 0.3896
Schistosoma mansoni ran 0.0021 0.0364 0.0364
Toxoplasma gondii aspartyl protease ASP1 0.0017 0.0281 0.3001
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0281 0.0281
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0414 0.4429
Plasmodium falciparum plasmepsin VI 0.0017 0.0281 0.5196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0931 0.1332
Loa Loa (eye worm) hypothetical protein 0.0028 0.054 0.0773
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0931 0.1332
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0281 0.0281
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0414 0.0183
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0931 0.179
Plasmodium falciparum plasmepsin III 0.0017 0.0281 0.5196
Echinococcus granulosus tar DNA binding protein 0.0061 0.1313 0.188
Brugia malayi Eukaryotic aspartyl protease family protein 0.0017 0.0281 0.054
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0017 0.0281 0.0402
Onchocerca volvulus 0.0017 0.0281 0.5
Echinococcus multilocularis importin subunit beta 1 0.0028 0.054 0.0773
Plasmodium vivax aspartyl protease, putative 0.0017 0.0281 0.5196
Plasmodium falciparum plasmepsin V 0.0017 0.0281 0.5196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0931 0.0931
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1313 0.188
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0017 0.0281 0.0402
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0137 0.309 0.309
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.6986 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1313 0.1313
Plasmodium falciparum plasmepsin X 0.0017 0.0281 0.5196
Echinococcus granulosus snurportin 1 0.0303 0.6986 1
Schistosoma mansoni ran 0.0021 0.0364 0.0364
Brugia malayi follicle stimulating hormone receptor 0.0227 0.5201 1
Schistosoma mansoni hypothetical protein 0.0303 0.6986 0.6986
Plasmodium vivax aspartyl proteinase, putative 0.0017 0.0281 0.5196
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1313 0.188
Brugia malayi aspartic protease BmAsp-2, identical 0.0017 0.0281 0.054
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0931 0.1332
Giardia lamblia Cathepsin B precursor 0.0045 0.0935 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1313 0.1313
Plasmodium falciparum plasmepsin VIII, putative 0.0017 0.0281 0.5196

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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