Detailed information for compound 782587

Basic information

Technical information
  • TDR Targets ID: 782587
  • Name: N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolan e-2-carboxamide
  • MW: 328.338 | Formula: C18H17FN2O3
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCO1)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C18H17FN2O3/c19-13-5-9-15(10-6-13)20-17(22)12-3-7-14(8-4-12)21-18(23)16-2-1-11-24-16/h3-10,16H,1-2,11H2,(H,20,22)(H,21,23)
  • InChiKey: KKHKREHQCVWUSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4-fluorophenyl)carbamoyl]phenyl]tetrahydrofuran-2-carboxamide
  • N-[4-[[(4-fluorophenyl)amino]-oxomethyl]phenyl]-2-tetrahydrofurancarboxamide
  • EU-0089586

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
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
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Brugia malayi TAR-binding protein 0.0062 0.0103 0.4963
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0007 0.0247
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0007 0.5
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.3152 0.599 0.5
Onchocerca volvulus 0.0012 0.0007 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0103 0.4963
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0007 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0103 0.3423
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0208 1
Brugia malayi DKFZp564C0469 protein 0.0012 0.0007 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0007 0.5
Schistosoma mansoni DNA ligase IV 0.0012 0.0007 0.0247
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0103 0.3423
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0103 0.3423
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0208 1
Echinococcus granulosus nibrin 0.0012 0.0007 0.0247
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0007 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.2331
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0103 0.3423
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.5258 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0103 0.4963
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.5258 1 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.5258 1 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0007 0.5
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0007 0.0247
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0007 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.007 0.338
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.5258 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0007 0.5
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.5258 1 1
Giardia lamblia Replication factor C, subunit 1 0.0012 0.0007 0.5
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.0007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0007 0.5
Echinococcus multilocularis geminin 0.0166 0.0301 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.2331
Schistosoma mansoni hypothetical protein 0.0166 0.0301 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Schistosoma mansoni topbp1 0.0012 0.0007 0.0247
Brugia malayi topoisomerase 0.0012 0.0007 0.0358
Echinococcus granulosus tar DNA binding protein 0.0062 0.0103 0.3423
Schistosoma mansoni topbp1 0.0012 0.0007 0.0247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.2331
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0007 0.0358
Echinococcus granulosus geminin 0.0166 0.0301 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.2331
Brugia malayi hypothetical protein 0.0012 0.0007 0.0358
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0007 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.007 0.338
Loa Loa (eye worm) hypothetical protein 0.0012 0.0007 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0007 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0103 0.3423
Schistosoma mansoni hypothetical protein 0.0166 0.0301 1
Echinococcus multilocularis nibrin 0.0012 0.0007 0.0247
Brugia malayi MH2 domain containing protein 0.0117 0.0208 1
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0007 0.0247
Entamoeba histolytica hypothetical protein 0.0012 0.0007 0.5
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.5258 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.2331
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0103 0.4963
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0007 0.0358
Brugia malayi hypothetical protein 0.0012 0.0007 0.0358
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0007 0.5
Brugia malayi RNA binding protein 0.0062 0.0103 0.4963
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0007 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.2331
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0007 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0007 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0103 0.4963
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.5258 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0103 0.3423
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.2331

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 20.5878 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) 37.933 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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