Detailed information for compound 981631

Basic information

Technical information
  • TDR Targets ID: 981631
  • Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1 -(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbo xamide
  • MW: 418.463 | Formula: C24H23FN4O2
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
  • InChi: 1S/C24H23FN4O2/c1-15-14-21(16(2)28(15)19-12-10-18(25)11-13-19)23(30)26-22-17(3)27(4)29(24(22)31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,26,30)
  • InChiKey: NVKLEDPUHCCJRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide
  • N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide
  • 1-(4-fluorophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrole-3-carboxamide

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
Loa Loa (eye worm) hypothetical protein 0.0101 0.0564 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0084 0.0421 0.0836
Echinococcus multilocularis protein dispatched 1 0.0047 0.0104 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0053 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0084 0.0421 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0232 0.2049
Brugia malayi amine oxidase, flavin-containing family protein 0.0084 0.0421 0.7459
Schistosoma mansoni patched 1 0.0041 0.0053 0.0468
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0618 0.5034 0.5034
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0084 0.0421 0.372
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1193 1 1
Schistosoma mansoni hypothetical protein 0.004 0.004 0.0354
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0084 0.0421 0.0836
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0232 0.4109
Schistosoma mansoni hypothetical protein 0.0069 0.0289 0.2555
Loa Loa (eye worm) hypothetical protein 0.0051 0.0133 0.2367
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0232 0.0353
Echinococcus multilocularis geminin 0.0166 0.1131 0.1722
Brugia malayi RNA binding protein 0.0062 0.0232 0.4109
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0084 0.0421 0.0641
Mycobacterium tuberculosis Possible oxidoreductase 0.0084 0.0421 0.0454
Loa Loa (eye worm) RNA binding protein 0.0062 0.0232 0.4109
Echinococcus granulosus expressed conserved protein 0.0091 0.0479 0.4232
Echinococcus granulosus geminin 0.0166 0.1131 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Onchocerca volvulus 0.0084 0.0421 1
Schistosoma mansoni amine oxidase 0.0084 0.0421 0.372
Schistosoma mansoni amine oxidase 0.0084 0.0421 0.372
Brugia malayi CHE-14 protein 0.0041 0.0053 0.0939
Echinococcus multilocularis 0.0084 0.0421 0.0641
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0084 0.0421 0.372
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0564 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0618 0.5034 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0542 0.4794
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0796 0.6566 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0529 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0232 0.2049
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0053 0.0468
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0084 0.0421 1
Leishmania major UDP-galactopyranose mutase 0.0084 0.0421 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0099 0.0874
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0618 0.5034 0.5428
Mycobacterium ulcerans oxidoreductase 0.0084 0.0421 0.0421
Schistosoma mansoni hypothetical protein 0.0166 0.1131 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0099 0.015
Echinococcus granulosus lysine specific histone demethylase 1A 0.0084 0.0421 0.372
Schistosoma mansoni hypothetical protein 0.004 0.004 0.0354
Schistosoma mansoni hypothetical protein 0.004 0.004 0.0354
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0232 0.2049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0564 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0874
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0564 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0529 0.468
Loa Loa (eye worm) hypothetical protein 0.0041 0.0053 0.0939
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0084 0.0421 0.0421
Schistosoma mansoni hypothetical protein 0.0166 0.1131 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0084 0.0421 1
Echinococcus multilocularis protein patched 0.0041 0.0053 0.0081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0099 0.1752
Loa Loa (eye worm) hypothetical protein 0.0069 0.0289 0.5124
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0618 0.5034 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0232 0.2049
Trypanosoma cruzi UDP-galactopyranose mutase 0.0084 0.0421 1
Echinococcus multilocularis expressed conserved protein 0.0091 0.0479 0.0729
Schistosoma mansoni hypothetical protein 0.004 0.004 0.0354
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0232 0.2049
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0618 0.5034 0.5034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0874
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0421 0.0836
Trypanosoma brucei hypothetical protein, conserved 0.0035 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0084 0.0421 0.0454
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0887 0.1351
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0232 0.4109
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0529 0.9385
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0618 0.5034 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0874
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Mycobacterium ulcerans monoamine oxidase 0.0084 0.0421 0.0421
Echinococcus granulosus tar DNA binding protein 0.0062 0.0232 0.2049
Mycobacterium ulcerans dehydrogenase 0.0084 0.0421 0.0421
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0289 0.5124
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0053 0.0468
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0618 0.5034 0.5034
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0421 0.0836
Brugia malayi hypothetical protein 0.0084 0.0421 0.7459
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.1644 0.1773
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1109 0.9274 1
Brugia malayi TAR-binding protein 0.0062 0.0232 0.4109
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0529 0.0806
Toxoplasma gondii histone lysine-specific demethylase 0.0084 0.0421 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0053 0.0939
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0099 0.015
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0099 0.1752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0099 0.0874
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0053 0.0081
Brugia malayi SWIRM domain containing protein 0.0084 0.0421 0.7459
Echinococcus multilocularis protoporphyrinogen oxidase 0.0084 0.0421 0.0641
Loa Loa (eye worm) hypothetical protein 0.0084 0.0421 0.7459
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0887 0.7846
Echinococcus granulosus lysine specific histone demethylase 1A 0.0084 0.0421 0.372
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0618 0.5034 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0232 0.4109
Loa Loa (eye worm) hypothetical protein 0.0097 0.0529 0.9385

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 100 % OSM: Percent inhibition of Plasmodium falciparum 3D7 growth at 80 uM. Avery Group Griffith. 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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