Detailed information for compound 1420179

Basic information

Technical information
  • TDR Targets ID: 1420179
  • Name: N-(2-fluoroethyl)-8-(trifluoromethoxy)-3a,4,5 ,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-ca rboxamide
  • MW: 344.304 | Formula: C16H16F4N2O2
  • H donors: 2 H acceptors: 1 LogP: 3.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCNC(=O)C1Nc2ccc(cc2C2C1CC=C2)OC(F)(F)F
  • InChi: 1S/C16H16F4N2O2/c17-6-7-21-15(23)14-11-3-1-2-10(11)12-8-9(24-16(18,19)20)4-5-13(12)22-14/h1-2,4-5,8,10-11,14,22H,3,6-7H2,(H,21,23)
  • InChiKey: KIEAPLSWUVOPKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000541804
  • SMR000472382
  • CC-PMLSC-KMB-BL_JO_30

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
Brugia malayi RNA binding protein 0.0455 0.3965 0.3666
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0132 0.0824 1
Schistosoma mansoni hypothetical protein 0.034 0.2848 0.3489
Echinococcus multilocularis GPCR, family 2 0.034 0.2848 0.3098
Loa Loa (eye worm) hypothetical protein 0.034 0.2848 0.2494
Loa Loa (eye worm) latrophilin receptor protein 2 0.034 0.2848 0.2494
Echinococcus multilocularis isocitrate dehydrogenase 0.0132 0.0824 0.046
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0884 0.814 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1076 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0305 0.2501 0.2292
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0884 0.814 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 0.5
Brugia malayi N-terminal motif family protein 0.0563 0.501 0.4763
Loa Loa (eye worm) hypothetical protein 0.0884 0.814 0.8048
Brugia malayi Isocitrate dehydrogenase 0.0132 0.0824 0.037
Schistosoma mansoni hypothetical protein 0.0735 0.669 0.8215
Echinococcus granulosus GPCR family 2 0.034 0.2848 0.3098
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.058 0.5176 0.4744
Echinococcus granulosus peptidase Clp S14 family 0.058 0.5176 0.6135
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0884 0.814 1
Loa Loa (eye worm) hypothetical protein 0.1076 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0132 0.0824 0.037
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0132 0.0824 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0824 0.046
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.034 0.2848 0.3098
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0132 0.0824 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0305 0.2501 0.2292
Schistosoma mansoni tar DNA-binding protein 0.0455 0.3965 0.4863
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0884 0.814 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 1
Brugia malayi RNA recognition motif domain containing protein 0.0455 0.3965 0.3666
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.0472 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0735 0.669 0.6526
Schistosoma mansoni hypothetical protein 0.034 0.2848 0.3489
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0563 0.501 1
Giardia lamblia Kinase, PLK 0.0096 0.0472 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0132 0.0824 0.0999
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0472 0.0565
Toxoplasma gondii hypothetical protein 0.0305 0.2501 0.2292
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.034 0.2848 0.3098
Echinococcus multilocularis peptidase Clp (S14 family) 0.058 0.5176 0.6135
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.058 0.5176 1
Schistosoma mansoni tar DNA-binding protein 0.0455 0.3965 0.4863
Loa Loa (eye worm) TAR-binding protein 0.0455 0.3965 0.3666
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0884 0.814 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 0.5
Loa Loa (eye worm) RNA binding protein 0.0455 0.3965 0.3666
Brugia malayi isocitrate dehydrogenase 0.0132 0.0824 0.037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0824 0.046
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0132 0.0824 0.046
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.034 0.2848 0.3098
Loa Loa (eye worm) hypothetical protein 0.0563 0.501 0.4763
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0884 0.814 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0455 0.3965 0.3666
Brugia malayi Probable ClpP-like protease 0.0884 0.814 0.8048
Brugia malayi Latrophilin receptor protein 2 0.034 0.2848 0.2494
Schistosoma mansoni peptidase Clp (S14 family) 0.0884 0.814 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0132 0.0824 0.046
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.058 0.5176 1
Schistosoma mansoni tar DNA-binding protein 0.0455 0.3965 0.4863
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0132 0.0824 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0132 0.0824 0.046
Schistosoma mansoni hypothetical protein 0.034 0.2848 0.3489
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Schistosoma mansoni tar DNA-binding protein 0.0455 0.3965 0.4863
Schistosoma mansoni hypothetical protein 0.034 0.2848 0.3489
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.034 0.2848 0.3098
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0884 0.814 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.1076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0455 0.3965 0.4555
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Brugia malayi TAR-binding protein 0.0455 0.3965 0.3666
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.034 0.2848 0.2494
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0132 0.0824 1
Loa Loa (eye worm) hypothetical protein 0.0735 0.669 0.6526
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0472 1
Schistosoma mansoni tar DNA-binding protein 0.0455 0.3965 0.4863
Echinococcus granulosus tar DNA binding protein 0.0455 0.3965 0.4555

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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