Detailed information for compound 1454097

Basic information

Technical information
  • TDR Targets ID: 1454097
  • Name: 3-methyl-2-[4-(phenylmethoxy)phenyl]quinoline -4-carboxylic acid
  • MW: 369.413 | Formula: C24H19NO3
  • H donors: 1 H acceptors: 3 LogP: 5.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1c(C)c(nc2c1cccc2)c1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)
  • InChiKey: JRJOPURIBFBFLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-2-[4-(phenylmethoxy)phenyl]-4-quinolinecarboxylic acid
  • 2-[4-(benzyloxy)phenyl]-3-methyl-cinchoninic acid
  • EU-0050130
  • IVK/9678008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset 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
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 0.0012 0.033 0.0313
Echinococcus multilocularis nibrin 0.0012 0.033 0.0443
Echinococcus granulosus replication factor c subunit 1 0.0012 0.033 0.0443
Giardia lamblia Replication factor C, subunit 1 0.0012 0.033 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.033 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.7066 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.033 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Brugia malayi DIX domain containing protein 0.0009 0.0164 0.0146
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.033 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.033 1
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0232
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.033 0.0467
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.033 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0164 0.0207
Treponema pallidum DNA ligase (lig) 0.0012 0.033 0.5
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.033 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.033 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Brugia malayi RNA recognition motif domain containing protein 0.013 0.7066 0.706
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.033 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0207
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.033 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.033 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 0.7066 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0164 0.0146
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.033 1
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0018 0.0025
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 1 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0025
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.7066 0.706
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0018 0.0025
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.033 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.033 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.033 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.033 0.5
Schistosoma mansoni DNA ligase IV 0.0012 0.033 0.0467
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0207
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.033 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0164 0.0146
Onchocerca volvulus 0.0012 0.033 0.0313
Schistosoma mansoni tar DNA-binding protein 0.013 0.7066 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.7066 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Schistosoma mansoni topbp1 0.0012 0.033 0.0467
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.033 0.5
Brugia malayi hypothetical protein 0.0012 0.033 0.0313
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.033 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.7066 1
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0164 0.0146
Brugia malayi topoisomerase 0.0012 0.033 0.0313
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.033 0.0443
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0164 0.0232
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Brugia malayi TAR-binding protein 0.013 0.7066 0.706
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.033 1
Brugia malayi hypothetical protein 0.0012 0.033 0.0313
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0232
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.033 0.0313
Echinococcus multilocularis tar DNA binding protein 0.013 0.7066 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0207
Loa Loa (eye worm) hypothetical protein 0.0012 0.033 0.0313
Schistosoma mansoni topbp1 0.0012 0.033 0.0467
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.033 0.0313
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0164 0.0146
Echinococcus granulosus nibrin 0.0012 0.033 0.0443
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0164 0.0207
Loa Loa (eye worm) hypothetical protein 0.0012 0.033 0.0313
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0207
Onchocerca volvulus 0.0009 0.0164 0.0146
Chlamydia trachomatis DNA ligase 0.0012 0.033 0.5
Loa Loa (eye worm) RNA binding protein 0.013 0.7066 0.706
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0164 0.0232
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0207
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.033 0.5
Schistosoma mansoni dep domain containing protein 0.0009 0.0164 0.0232
Loa Loa (eye worm) TAR-binding protein 0.013 0.7066 0.706
Entamoeba histolytica hypothetical protein 0.0012 0.033 1
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.033 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.033 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0207
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0164 0.0232
Brugia malayi DKFZp564C0469 protein 0.0012 0.033 0.0313
Brugia malayi RNA binding protein 0.013 0.7066 0.706
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.033 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0207
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.033 0.0313
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.033 0.0313
Echinococcus granulosus tar DNA binding protein 0.013 0.7066 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0207
Loa Loa (eye worm) hypothetical protein 0.0012 0.033 0.0313

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, 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) 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
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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