Detailed information for compound 262483

Basic information

Technical information
  • TDR Targets ID: 262483
  • Name: 2-pyridin-4-ylquinoline-4-carboxylic acid
  • MW: 250.252 | Formula: C15H10N2O2
  • H donors: 1 H acceptors: 4 LogP: 2.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(nc2c1cccc2)c1ccncc1
  • InChi: 1S/C15H10N2O2/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H,(H,18,19)
  • InChiKey: IBXRRNLSWGROLA-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-pyridyl)quinoline-4-carboxylic acid
  • 2-(4-pyridyl)-4-quinolinecarboxylic acid
  • 2-(4-pyridyl)cinchoninic acid
  • 14228-23-0
  • AIDS089453
  • NCGC00014819
  • NSC-360211
  • 2-(4-pyridinyl)-4-quinolinecarboxylic acid
  • NCIStruc2_000832
  • NCIStruc1_000902
  • NCI360211
  • 2-(4-Pyridyl)cinchoninsaeure [German]
  • 4-Quinolinecarboxylic acid, 2-(4-pyridinyl)-
  • 5-25-05-00236 (Beilstein Handbook Reference)
  • BRN 0017972
  • CINCHONINIC ACID, 2-(4-PYRIDYL)-
  • Kyselin 2-(4-pyridyl)-cinchoninova [Czech]
  • NSC 360211
  • NCI60_003280
  • SBB011934
  • Oprea1_758729
  • 2-Pyridin-4-yl-quinoline-4-carboxylic acid
  • BAS 00403572
  • Oprea1_338008
  • NSC360211
  • AIDS-089453

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 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Brugia malayi Blistered cuticle protein 3 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Echinococcus multilocularis peroxidasin 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0934 0.5 0.5
Schistosoma mansoni peroxidasin 0.0934 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0934 0.5 0.5
Echinococcus granulosus peroxidasin 0.0934 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Schistosoma mansoni peroxidasin 0.0934 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0934 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.0934 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0934 0.5 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0934 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.0934 0.5 0.5
Onchocerca volvulus 0.0934 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Onchocerca volvulus 0.0934 0.5 0.5
Brugia malayi Peroxidasin 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Onchocerca volvulus 0.0934 0.5 0.5
Onchocerca volvulus Dual oxidase homolog 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0934 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0934 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0934 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1000000 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 100 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766

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

1 literature reference was collected for this gene.

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