Detailed information for compound 1402530

Basic information

Technical information
  • TDR Targets ID: 1402530
  • Name: N-cyclohexyl-1-[4-(furan-2-carbonylamino)phen yl]sulfonylpiperidine-4-carboxamide
  • MW: 459.558 | Formula: C23H29N3O5S
  • H donors: 2 H acceptors: 4 LogP: 2.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1)NC1CCCCC1
  • InChi: 1S/C23H29N3O5S/c27-22(24-18-5-2-1-3-6-18)17-12-14-26(15-13-17)32(29,30)20-10-8-19(9-11-20)25-23(28)21-7-4-16-31-21/h4,7-11,16-18H,1-3,5-6,12-15H2,(H,24,27)(H,25,28)
  • InChiKey: RXMFIRVLSGYQLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-1-[4-(furan-2-carbonylamino)phenyl]sulfonyl-piperidine-4-carboxamide
  • N-cyclohexyl-1-[4-[(2-furyl-oxomethyl)amino]phenyl]sulfonyl-4-piperidinecarboxamide
  • N-cyclohexyl-1-[4-(furan-2-carbonylamino)phenyl]sulfonyl-isonipecotamide
  • N-cyclohexyl-1-[4-(furan-2-ylcarbonylamino)phenyl]sulfonyl-piperidine-4-carboxamide
  • Oprea1_839515
  • 1-{4-[(Furan-2-carbonyl)-amino]-benzenesulfonyl}-piperidine-4-carboxylic acid cyclohexylamide
  • ASN 05990893
  • SMR000006056
  • MLS000031177

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0501 0.0501
Echinococcus multilocularis BC026374 protein (S09 family) 0.0068 0.0856 0.0856
Entamoeba histolytica protein kinase, putative 0.009 0.1448 0.4383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0501 0.0501
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0095 0.0095
Brugia malayi Carboxylesterase family protein 0.0068 0.0856 0.0856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0501 0.0501
Onchocerca volvulus 0.0068 0.0856 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0068 0.0856 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0068 0.0856 0.0856
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0068 0.0856 0.0856
Trichomonas vaginalis rotamase, putative 0.0039 0.0069 0.0209
Echinococcus granulosus neuroligin 0.0068 0.0856 0.0856
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Entamoeba histolytica hypothetical protein 0.009 0.1448 0.4383
Echinococcus granulosus serine:threonine protein kinase haspin 0.0203 0.4512 0.4512
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.009 0.1448 0.1448
Echinococcus multilocularis expressed protein 0.004 0.0095 0.0095
Mycobacterium tuberculosis Carboxylesterase LipT 0.0068 0.0856 0.5
Echinococcus multilocularis dual specificity 0.0158 0.3304 0.3304
Brugia malayi Protein kinase domain containing protein 0.009 0.1448 0.1448
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0158 0.3304 1
Schistosoma mansoni gliotactin 0.0068 0.0856 0.0856
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.0856 0.0856
Brugia malayi hypothetical protein 0.0068 0.0856 0.0856
Echinococcus granulosus serine:threonine protein kinase haspin 0.0203 0.4512 0.4512
Echinococcus multilocularis dual specificity 0.0158 0.3304 0.3304
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0501 0.0501
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0068 0.0856 0.5
Onchocerca volvulus 0.0068 0.0856 1
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0158 0.3304 0.3304
Brugia malayi hypothetical protein 0.0203 0.4512 0.4512
Echinococcus granulosus expressed protein 0.004 0.0095 0.0095
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0203 0.4512 0.4512
Trichomonas vaginalis spcc417.12 protein, putative 0.0068 0.0856 0.2592
Brugia malayi Carboxylesterase family protein 0.0068 0.0856 0.0856
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Onchocerca volvulus 0.0068 0.0856 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0501 0.0501
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.009 0.1448 0.4383
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Entamoeba histolytica protein kinase, putative 0.009 0.1448 0.4383
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0069 0.0209
Schistosoma mansoni survival motor neuron protein 0.0058 0.0582 0.0582
Loa Loa (eye worm) carboxylesterase 0.0068 0.0856 0.0856
Brugia malayi Carboxylesterase family protein 0.0068 0.0856 0.0856
Echinococcus granulosus BC026374 protein S09 family 0.0068 0.0856 0.0856
Loa Loa (eye worm) hypothetical protein 0.0088 0.1399 0.1399
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0069 0.0209
Entamoeba histolytica protein kinase, putative 0.0158 0.3304 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.1399 0.1399
Echinococcus granulosus dual specificity 0.009 0.1448 0.1448
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0069 0.0209
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0158 0.3304 0.3304
Echinococcus granulosus serine:threonine protein kinase haspin 0.0203 0.4512 0.4512
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.0856 0.0856
Schistosoma mansoni hypothetical protein 0.0058 0.0582 0.0582
Mycobacterium ulcerans carboxylesterase, LipT 0.0068 0.0856 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.3304 0.3304
Echinococcus granulosus dual specificity 0.0158 0.3304 0.3304
Loa Loa (eye worm) haspin protein kinase 0.0204 0.4562 0.4562
Brugia malayi hypothetical protein 0.0286 0.6769 0.6769
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0501 0.0501
Loa Loa (eye worm) haspin protein kinase 0.0203 0.4512 0.4512
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6769 0.6769
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0501 0.0501
Echinococcus granulosus dual specificity 0.0158 0.3304 0.3304
Schistosoma mansoni hypothetical protein 0.0203 0.4512 0.4512
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0095 0.0095
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0069 0.0209
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0582 0.0582
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Schistosoma mansoni serine/threonine protein kinase 0.009 0.1448 0.1448
Echinococcus multilocularis dual specificity 0.009 0.1448 0.1448
Echinococcus granulosus dual specificity 0.0158 0.3304 0.3304
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0158 0.3304 1
Onchocerca volvulus 0.0068 0.0856 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0069 0.0209
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0203 0.4512 0.4512
Loa Loa (eye worm) hypothetical protein 0.0286 0.6769 0.6769
Brugia malayi GSG2 0.0203 0.4512 0.4512
Giardia lamblia Kinase, CMGC DYRK 0.0158 0.3304 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0068 0.0856 0.2592
Echinococcus granulosus para nitrobenzyl esterase 0.0068 0.0856 0.0856
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6769 0.6769
Loa Loa (eye worm) carboxylesterase 0.0068 0.0856 0.0856
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.0856 0.0856
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0095 0.0288
Echinococcus multilocularis dual specificity 0.0158 0.3304 0.3304
Schistosoma mansoni acetylcholinesterase 0.0068 0.0856 0.0856
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0501 0.0501
Schistosoma mansoni BC026374 protein (S09 family) 0.0068 0.0856 0.0856
Trichomonas vaginalis CMGC family protein kinase 0.0158 0.3304 1
Loa Loa (eye worm) haspin protein kinase 0.0203 0.4512 0.4512
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0158 0.3304 1
Entamoeba histolytica protein kinase domain containing protein 0.009 0.1448 0.4383
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0158 0.3304 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.009 0.1448 0.4383
Trichomonas vaginalis rotamase, putative 0.004 0.0095 0.0288
Onchocerca volvulus 0.0068 0.0856 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0068 0.0856 0.0856
Loa Loa (eye worm) hypothetical protein 0.0068 0.0856 0.0856
Schistosoma mansoni rotamase 0.004 0.0095 0.0095
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.009 0.1448 0.4383
Entamoeba histolytica protein kinase domain containing protein 0.0158 0.3304 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0068 0.0856 0.0856
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.009 0.1448 0.4383
Brugia malayi Carboxylesterase family protein 0.0068 0.0856 0.0856
Echinococcus multilocularis neuroligin 0.0068 0.0856 0.0856

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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) 12.5893 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) 16.9441 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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