Detailed information for compound 1451574

Basic information

Technical information
  • TDR Targets ID: 1451574
  • Name: 1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2- oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxypheny l)urea
  • MW: 469.532 | Formula: C23H24FN5O3S
  • H donors: 2 H acceptors: 3 LogP: 2.95 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)Nc1scc(n1)CC(=O)N1CCN(CC1)c1ccc(cc1)F
  • InChi: 1S/C23H24FN5O3S/c1-32-20-5-3-2-4-19(20)26-22(31)27-23-25-17(15-33-23)14-21(30)29-12-10-28(11-13-29)18-8-6-16(24)7-9-18/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31)
  • InChiKey: GRTDCVKGCLAJLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]thiazol-2-yl]-3-(2-methoxyphenyl)urea
  • 1-[4-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-2-thiazolyl]-3-(2-methoxyphenyl)urea
  • 1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-keto-ethyl]thiazol-2-yl]-3-(2-methoxyphenyl)urea
  • 1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0689 0.4289 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0689 0.4289 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6592 1
Onchocerca volvulus 0.0147 0 0.5
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0231 0.0661 0.0661
Schistosoma mansoni hypothetical protein 0.0205 0.0455 1
Echinococcus granulosus geminin 0.0205 0.0455 0.106
Echinococcus multilocularis geminin 0.0205 0.0455 0.069
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0231 0.0661 0.154
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0231 0.0661 1
Leishmania major carnitine palmitoyltransferase-like protein 0.0231 0.0661 0.154
Onchocerca volvulus 0.0147 0 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0231 0.0661 0.1002
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0231 0.0661 0.0661
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0689 0.4289 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0689 0.4289 1
Schistosoma mansoni hypothetical protein 0.0205 0.0455 1
Onchocerca volvulus 0.0147 0 0.5
Onchocerca volvulus 0.0147 0 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0689 0.4289 0.6507
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0231 0.0661 0.154
Loa Loa (eye worm) hypothetical protein 0.1409 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 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) 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 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

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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