Detailed information for compound 1492937

Basic information

Technical information
  • TDR Targets ID: 1492937
  • Name: N-[2-[(2-chlorophenyl)amino]-2-oxoethyl]-5-cy clopropyl-N-methyl-2-phenylpyrazole-3-carboxa mide
  • MW: 408.881 | Formula: C22H21ClN4O2
  • H donors: 1 H acceptors: 3 LogP: 3.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)c1cc(nn1c1ccccc1)C1CC1)C)Nc1ccccc1Cl
  • InChi: 1S/C22H21ClN4O2/c1-26(14-21(28)24-18-10-6-5-9-17(18)23)22(29)20-13-19(15-11-12-15)25-27(20)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,28)
  • InChiKey: ZNHCZAOTHIPQPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-5-cyclopropyl-N-methyl-2-phenyl-pyrazole-3-carboxamide
  • N-[2-[(2-chlorophenyl)amino]-2-oxoethyl]-5-cyclopropyl-N-methyl-2-phenyl-3-pyrazolecarboxamide
  • N-[2-[(2-chlorophenyl)amino]-2-keto-ethyl]-5-cyclopropyl-N-methyl-2-phenyl-pyrazole-3-carboxamide
  • T5560697
  • ZINC08394258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Onchocerca volvulus 0.0286 0.5507 1
Onchocerca volvulus 0.0074 0.0746 0.0467
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0746 0.0253
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0486 1 1
Schistosoma mansoni amine oxidase 0.0064 0.0512 0.0512
Echinococcus multilocularis protoporphyrinogen oxidase 0.0486 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5507 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0428 0.0906
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0746 0.0253
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Brugia malayi amine oxidase, flavin-containing family protein 0.0064 0.0512 0.1084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0068 0.0068
Brugia malayi beta-lactamase family protein 0.0074 0.0746 0.1578
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0746 0.0246
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0746 0.0253
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0486 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0475 0.975 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0746 0.0253
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0746 0.1578
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0746 0.0253
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0064 0.0512 0.0512
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4726 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0746 0.0746
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0746 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0746 0.0797
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0428 0.0906
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0068 0.0145
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0746 0.0253
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0746 0.0253
Mycobacterium tuberculosis Conserved protein 0.0074 0.0746 0.0253
Echinococcus multilocularis 0.0064 0.0512 0.0447
Loa Loa (eye worm) hypothetical protein 0.006 0.0428 0.0906
Echinococcus granulosus protoporphyrinogen oxidase 0.0422 0.8562 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Brugia malayi beta-lactamase family protein 0.0074 0.0746 0.1578
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0746 0.0682
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0064 0.0512 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0746 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0064 0.0512 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0064 0.0512 0.0523
Schistosoma mansoni amine oxidase 0.0064 0.0512 0.0512
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0422 0.8562 0.8714
Onchocerca volvulus 0.0074 0.0746 0.0467
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0486 1 1
Brugia malayi SWIRM domain containing protein 0.0064 0.0512 0.1084
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0746 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0746 0.1578
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0746 0.0246
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0068 0.0068
Loa Loa (eye worm) beta-lactamase 0.0074 0.0746 0.1578
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0064 0.0512 0.0447
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Onchocerca volvulus 0.0074 0.0746 0.0467
Echinococcus granulosus lysine specific histone demethylase 1A 0.0064 0.0512 0.0523
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0746 0.0746
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0746 1
Mycobacterium ulcerans hypothetical protein 0.0074 0.0746 0.0246
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Toxoplasma gondii ABC1 family protein 0.0074 0.0746 1
Brugia malayi Pre-SET motif family protein 0.0251 0.4726 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0428 0.0906
Brugia malayi beta-lactamase 0.0074 0.0746 0.1578
Plasmodium falciparum protoporphyrinogen oxidase 0.0064 0.0512 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0068 0.0068
Leishmania major hypothetical protein, conserved 0.0074 0.0746 1
Mycobacterium ulcerans lipase LipD 0.0074 0.0746 0.0246
Brugia malayi hypothetical protein 0.0064 0.0512 0.1084
Mycobacterium tuberculosis Conserved protein 0.0074 0.0746 0.0253
Mycobacterium tuberculosis Conserved protein 0.0074 0.0746 0.0253
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0068 0.0145
Loa Loa (eye worm) hypothetical protein 0.0064 0.0512 0.1084
Mycobacterium ulcerans beta-lactamase 0.0074 0.0746 0.0246
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0746 0.1578

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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