Detailed information for compound 349624

Basic information

Technical information
  • TDR Targets ID: 349624
  • Name: 1-(4-chlorophenyl)-3-(3-phenylmethoxypyridin- 2-yl)urea
  • MW: 353.802 | Formula: C19H16ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncccc1OCc1ccccc1)Nc1ccc(cc1)Cl
  • InChi: 1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)22-19(24)23-18-17(7-4-12-21-18)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,21,22,23,24)
  • InChiKey: HHOGKGWCNFVSCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-benzyloxy-2-pyridyl)-3-(4-chlorophenyl)urea
  • 1-(3-benzoxy-2-pyridyl)-3-(4-chlorophenyl)urea
  • 3-(4-chlorophenyl)-1-[3-(phenylmethoxy)pyridin-2-yl]urea
  • 3-(4-chlorophenyl)-1-[3-(phenylmethoxy)-2-pyridyl]urea
  • 1-[3-(benzyloxy)-2-pyridyl]-3-(4-chlorophenyl)urea
  • AI-204/31695004
  • N-[3-(benzyloxy)-2-pyridinyl]-N'-(4-chlorophenyl)urea
  • AIDS-349488
  • AIDS349488
  • Urea, N-(4-chlorophenyl]-N'-[3-(phenylmethoxy)-2-pyridinyl]-
  • Oprea1_732330

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peptidylprolyl isomerase A (cyclophilin A)-like 4C Starlite/ChEMBL 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
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase peptidylprolyl isomerase A (cyclophilin A)-like 4C 164 aa 171 aa 46.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax hypothetical protein, conserved 0.0504 0 0.5
Loa Loa (eye worm) serotonin transporter b 0.2971 1 1
Loa Loa (eye worm) norepinephrine transporter 0.2971 1 1
Echinococcus multilocularis serotonin transporter 0.2971 1 1
Plasmodium falciparum amino acid transporter, putative 0.0504 0 0.5
Echinococcus multilocularis serotonin receptor 0.24 0.7682 0.7682
Schistosoma mansoni sodium/chloride dependent transporter 0.2971 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0504 0 0.5
Toxoplasma gondii hypothetical protein 0.0504 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2971 1 1
Echinococcus multilocularis serotonin receptor 0.24 0.7682 0.7682
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0504 0 0.5
Loa Loa (eye worm) hypothetical protein 0.24 0.7682 0.7682
Loa Loa (eye worm) hypothetical protein 0.2971 1 1
Echinococcus granulosus serotonin transporter 0.2971 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.24 0.7682 0.7682
Plasmodium vivax amine transporter, putative 0.0504 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.24 0.7682 0.7682
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2971 1 1
Toxoplasma gondii hypothetical protein 0.0504 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0504 0 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.2971 1 0.5
Onchocerca volvulus 0.2971 1 1
Loa Loa (eye worm) hypothetical protein 0.2971 1 1
Plasmodium falciparum transporter, putative 0.0504 0 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.2971 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0504 0 0.5
Loa Loa (eye worm) hypothetical protein 0.24 0.7682 0.7682

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 640 nM Inhibition of isomerase activity of Cyclophilin A ChEMBL. 16451056
IC50 (binding) = 640 nM Inhibition of isomerase activity of Cyclophilin A ChEMBL. 16451056
Inhibition (binding) = 100 % Inhibition of isomerase activity of Cyclophilin A at 10 uM ChEMBL. 16451056
Inhibition (binding) = 100 % Inhibition of isomerase activity of Cyclophilin A at 10 uM ChEMBL. 16451056

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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