Detailed information for compound 1372427

Basic information

Technical information
  • TDR Targets ID: 1372427
  • Name: 4-chloro-N-[2-(2-cyanoethyl)-5-methylpyrazol- 3-yl]benzamide
  • MW: 288.732 | Formula: C14H13ClN4O
  • H donors: 1 H acceptors: 3 LogP: 2.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCn1nc(cc1NC(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C14H13ClN4O/c1-10-9-13(19(18-10)8-2-7-16)17-14(20)11-3-5-12(15)6-4-11/h3-6,9H,2,8H2,1H3,(H,17,20)
  • InChiKey: NRTUOFXBQGJFAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]benzamide
  • 4-chloro-N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]benzamide
  • ZINC03172042
  • Oprea1_742544

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
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.1402 1 1
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0434 0.2876 0.4038
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.1402 1 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.1402 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0013 0.0013
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0434 0.2876 1
Leishmania major ubiquitin activating enzyme, putative 0.0434 0.2876 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0013 0.0013
Mycobacterium leprae POSSIBLE MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEY 0.0043 0 0.5
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.1402 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0013 0.0013
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0434 0.2876 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0013 0.0013
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.1402 1 1
Giardia lamblia Ubiquitin-conjugating enzyme E1 0.0043 0 0.5
Mycobacterium tuberculosis Possible molybdopterin biosynthesis protein MoeY 0.0043 0 0.5
Giardia lamblia Molybdopterin biosynthesis MoeB protein 0.0043 0 0.5
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.1402 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0013 0.0013
Mycobacterium ulcerans molybdopterin biosynthesis-like protein MoeZ 0.0043 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0013 0.0013
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0013 0.0013
Mycobacterium leprae PROBABLE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN MOEB1 (MPT-SYNTHASE SULFURYLASE) (MOLYBDOPTERIN SYNTHASE SULPHURYLASE) 0.0043 0 0.5
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0434 0.2876 1
Mycobacterium ulcerans hypothetical protein 0.0043 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0013 0.0013
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0013 0.0013
Giardia lamblia Ubiquitin-conjugating enzyme E1 0.0043 0 0.5
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.1011 0.7124 1
Mycobacterium tuberculosis Probable molybdenum cofactor biosynthesis protein MoeB2 (MPT-synthase sulfurylase) (molybdopterin synthase sulphurylase) 0.0043 0 0.5
Mycobacterium tuberculosis Possible molybdopterin biosynthesis protein MoeW 0.0043 0 0.5
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0434 0.2876 1
Giardia lamblia Ubiquitin-activating enzyme E1 1 0.0043 0 0.5
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0434 0.2876 1
Giardia lamblia Molybdopterin biosynthesis MoeB protein 0.0043 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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

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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