Detailed information for compound 1437930

Basic information

Technical information
  • TDR Targets ID: 1437930
  • Name: N-(4-chloro-2-fluorophenyl)-2-phenylcycloprop ane-1-carboxamide
  • MW: 289.732 | Formula: C16H13ClFNO
  • H donors: 1 H acceptors: 1 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1c1ccccc1)Nc1ccc(cc1F)Cl
  • InChi: 1S/C16H13ClFNO/c17-11-6-7-15(14(18)8-11)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)
  • InChiKey: HQAZXJLSLRJHCB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chloro-2-fluoro-phenyl)-2-phenyl-cyclopropane-1-carboxamide
  • N-(4-chloro-2-fluorophenyl)-2-phenyl-1-cyclopropanecarboxamide
  • MLS001008021
  • N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropanecarboxamide
  • SMR000497533
  • IVK/9475203

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus geminin 0.0171 0.4628 0.445
Chlamydia trachomatis pyruvate kinase 0.0034 0.032 0.5
Onchocerca volvulus 0.0342 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.032 0.032
Loa Loa (eye worm) pyruvate kinase 0.0034 0.032 0.032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1154 0.0862
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1154 0.1154
Brugia malayi hypothetical protein 0.0163 0.4371 0.4185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0556 0.0556
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0163 0.4371 0.4185
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.032 0.032
Echinococcus multilocularis geminin 0.0171 0.4628 0.4575
Entamoeba histolytica pyruvate kinase, putative 0.0023 0 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.4371 1
Giardia lamblia Pyruvate kinase 0.0034 0.032 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0342 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1154 0.1154
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1154 0.0862
Mycobacterium tuberculosis Hypothetical protein 0.0163 0.4371 0.4185
Mycobacterium ulcerans thymidylate synthase 0.0342 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0556 0.0244
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0342 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0556 0.0244
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0342 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 1 1
Loa Loa (eye worm) thymidylate synthase 0.0342 1 1
Echinococcus granulosus thymidylate synthase 0.0342 1 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.032 0.0225
Echinococcus multilocularis thymidylate synthase 0.0342 1 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.032 0.032
Schistosoma mansoni hypothetical protein 0.0171 0.4628 0.445
Schistosoma mansoni hypothetical protein 0.0171 0.4628 0.445
Echinococcus multilocularis pyruvate kinase 0.0034 0.032 0.0225

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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