Detailed information for compound 1495468

Basic information

Technical information
  • TDR Targets ID: 1495468
  • Name: 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-p henylsulfonylfuran-2-carboxamide
  • MW: 473.969 | Formula: C24H24ClNO5S
  • H donors: 1 H acceptors: 3 LogP: 5.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1oc(c(c1S(=O)(=O)c1ccccc1)c1ccc(cc1)Cl)C(=O)NC1CCCCC1
  • InChi: 1S/C24H24ClNO5S/c1-30-24-22(32(28,29)19-10-6-3-7-11-19)20(16-12-14-17(25)15-13-16)21(31-24)23(27)26-18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9H2,1H3,(H,26,27)
  • InChiKey: VHQGXSLLCNIINF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-phenylsulfonyl-furan-2-carboxamide
  • 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-phenylsulfonyl-2-furancarboxamide
  • 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-phenylsulfonyl-2-furamide
  • Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl- 5-methoxy-4-(phenylsulfonyl)-
  • 3-(4-Chlorophenyl)-N-cyclohexyl-5-methoxy-4-(phenylsulfonyl)-2-furamide
  • AIDS-147704
  • AIDS147704
  • NSC677629
  • NCI60_027707

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0094 0.0209 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0286 0.1113 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0286 0.1113 0.123
Onchocerca volvulus 0.0286 0.1113 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.0209 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0286 0.1113 0.1063
Loa Loa (eye worm) hypothetical protein 0.0997 0.4459 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0094 0.0209 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0286 0.1113 0.1286
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0077 0.0129 0.6179
Loa Loa (eye worm) hypothetical protein 0.015 0.0473 0.1008
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0286 0.1113 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0026 0.003
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2175 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0997 0.4459 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0049 0.0053
Echinococcus multilocularis protoporphyrinogen oxidase 0.2175 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0286 0.1113 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0286 0.1113 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0094 0.0209 1
Loa Loa (eye worm) hypothetical protein 0.0965 0.4305 0.9652
Echinococcus granulosus lysine specific histone demethylase 1A 0.0286 0.1113 0.1286
Trypanosoma cruzi UDP-galactopyranose mutase 0.0286 0.1113 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0026 0.0026
Brugia malayi SWIRM domain containing protein 0.0286 0.1113 0.2495
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1889 0.8653 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0286 0.1113 0.1113
Schistosoma mansoni amine oxidase 0.0286 0.1113 0.1113
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2175 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0286 0.1113 0.2495
Mycobacterium ulcerans dehydrogenase 0.0286 0.1113 0.1063
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0286 0.1113 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0026 0.003
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0286 0.1113 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0049 0.0053
Schistosoma mansoni amine oxidase 0.0286 0.1113 0.1113
Plasmodium vivax hypothetical protein, conserved 0.0286 0.1113 0.5
Mycobacterium ulcerans monoamine oxidase 0.0286 0.1113 0.1063
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0286 0.1113 0.5
Brugia malayi hypothetical protein 0.0286 0.1113 0.2495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Echinococcus granulosus protoporphyrinogen oxidase 0.1889 0.8653 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0049 0.011
Plasmodium falciparum protoporphyrinogen oxidase 0.0286 0.1113 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0026 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0026 0.0026
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.015 0.0473 0.106
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.015 0.0473 0.0473
Trypanosoma brucei cAMP-specific phosphodiesterase 0.005 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0286 0.1113 0.1063
Loa Loa (eye worm) hypothetical protein 0.0286 0.1113 0.2451
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0026 0.0058
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0286 0.1113 0.1113
Echinococcus multilocularis 0.0286 0.1113 0.1113
Mycobacterium ulcerans oxidoreductase 0.0286 0.1113 0.1063
Plasmodium vivax hypothetical protein, conserved 0.0286 0.1113 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0286 0.1113 0.123
Trypanosoma brucei cAMP-specific phosphodiesterase 0.005 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0077 0.0129 0.6179
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2175 1 0.5
Leishmania major UDP-galactopyranose mutase 0.0286 0.1113 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0049 0.011

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.823 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) -5.739 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) -5.619 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) -5.182 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) -4.933 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) -4.803 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) -4.737 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) -4.697 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) -4.552 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
GI50 (functional) -4.508 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) -4.194 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
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.