Detailed information for compound 1398609

Basic information

Technical information
  • TDR Targets ID: 1398609
  • Name: 4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzen esulfonamide
  • MW: 358.883 | Formula: C16H23ClN2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
  • InChi: 1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2
  • InChiKey: AYQCZQKMGKDZPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-(2-morpholinocyclohexyl)benzenesulfonamide
  • UNM000000650501
  • STOCK2S-80670
  • 4-Chloro-N-(2-morpholin-4-yl-cyclohexyl)-benzenesulfonamide
  • MLS000713637
  • SMR000273118
  • BAS 03787124

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Danio rerio Ion channel NompC Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens mucolipin 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Onchocerca volvulus Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Schistosoma japonicum ko:K04994 mucolipin 3, putative Get druggable targets OG5_129484 All targets in OG5_129484
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) ion channel NompC Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Giardia lamblia Protein 21.1 Get druggable targets OG5_136415 All targets in OG5_136415
Schistosoma japonicum expressed protein Get druggable targets OG5_129484 All targets in OG5_129484
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
Brugia malayi ion channel NompC Get druggable targets OG5_136415 All targets in OG5_136415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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 GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Echinococcus granulosus mucolipin 3 Get druggable targets OG5_129484 All targets in OG5_129484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) mucolipin 1 Get druggable targets OG5_129484 All targets in OG5_129484
Onchocerca volvulus Get druggable targets OG5_136415 All targets in OG5_136415
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
Brugia malayi ion channel NompC Get druggable targets OG5_136415 All targets in OG5_136415
Echinococcus multilocularis mucolipin 3 Get druggable targets OG5_129484 All targets in OG5_129484
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mucolipin Get druggable targets OG5_129484 All targets in OG5_129484
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
Brugia malayi Coelomocyte uptake defective protein 5 Get druggable targets OG5_129484 All targets in OG5_129484
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma mansoni mucolipin Get druggable targets OG5_129484 All targets in OG5_129484
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Wolbachia endosymbiont of Brugia malayi ankyrin repeat-containing protein Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_136415 All targets in OG5_136415
Onchocerca volvulus Get druggable targets OG5_136415 All targets in OG5_136415
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 corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Onchocerca volvulus Ion channel NompC   1614 aa 1627 aa 41.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Polycystin cation channel, putative 0.0007 0.0173 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0006 0.0007
Brugia malayi ion channel NompC 0.0013 0.0444 0.0444
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0686 0.0686
Echinococcus multilocularis polycystic kidney disease protein 2 0.0007 0.0173 0.0209
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2175 0.2175
Toxoplasma gondii hypothetical protein 0.0009 0.027 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0686 0.0826
Echinococcus multilocularis mucolipin 3 0.0079 0.3143 0.3784
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2175 0.2619
Schistosoma mansoni hypothetical protein 0.0019 0.0686 0.2183
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.238 0.238
Wolbachia endosymbiont of Brugia malayi ankyrin repeat-containing protein 0.0013 0.0436 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0003 0.0006 0.0007
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1596 0.1596
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Loa Loa (eye worm) mucolipin 1 0.0079 0.3143 0.3143
Loa Loa (eye worm) ion channel NompC 0.0015 0.0532 0.0532
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0686 0.0686
Onchocerca volvulus 0.0013 0.0436 1
Echinococcus granulosus polycystic kidney disease protein 2 0.0007 0.0173 0.0209
Echinococcus granulosus short transient receptor potential channel 6 0.0003 0.0006 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.0686 0.2183
Schistosoma mansoni polycystin 1-related 0.0007 0.0173 0.0552
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Brugia malayi Coelomocyte uptake defective protein 5 0.0079 0.3143 0.3143
Brugia malayi ion channel NompC 0.0015 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2175 0.2619
Echinococcus multilocularis GPCR, family 2 0.0019 0.0686 0.0826
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.238 0.238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2175 0.6922
Schistosoma mansoni transient receptor potential channel 0.0003 0.0007 0.0022
Schistosoma mansoni mucolipin 0.0072 0.2872 0.9138
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0173 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.8307 1
Schistosoma mansoni mucolipin 0.0079 0.3143 1
Echinococcus granulosus Polycystic kidney disease protein 0.0007 0.0173 0.0209
Schistosoma mansoni hypothetical protein 0.0019 0.0686 0.2183
Schistosoma mansoni hypothetical protein 0.0007 0.0173 0.0552
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2175 0.2619
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2175 0.2175
Echinococcus granulosus GPCR family 2 0.0019 0.0686 0.0826
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0006 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0686 0.0826
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0173 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0686 0.0686
Onchocerca volvulus 0.0013 0.0436 1
Brugia malayi olfactory channel protein osm-9 0.0003 0.0006 0.0006
Echinococcus multilocularis Polycystic kidney disease protein 0.0007 0.0173 0.0209
Schistosoma mansoni hypothetical protein 0.0041 0.1596 0.5077
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Schistosoma mansoni hypothetical protein 0.0019 0.0686 0.2183
Loa Loa (eye worm) hypothetical protein 0.0041 0.1596 0.1596
Leishmania major hypothetical protein, conserved 0.0007 0.0173 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.8307 1
Giardia lamblia Protein 21.1 0.0013 0.0436 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.0006 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2175 0.6922
Loa Loa (eye worm) hypothetical protein 0.0019 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0013 0.0436 0.0436
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2175 0.2619
Trypanosoma brucei Polycystin cation channel, putative 0.0007 0.0173 0.5
Echinococcus granulosus polycystin 2 0.0007 0.0173 0.0209
Schistosoma mansoni hypothetical protein 0.0007 0.0173 0.0552
Trypanosoma cruzi Polycystin cation channel, putative 0.0007 0.0173 0.5
Onchocerca volvulus 0.0013 0.0436 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2175 0.6922
Loa Loa (eye worm) hypothetical protein 0.0003 0.0006 0.0006
Echinococcus granulosus mucolipin 3 0.0079 0.3143 0.3784

Activities

Activity type Activity value Assay description Source Reference
EC50 = 0.45 um PUBCHEM_BIOASSAY: Late stage results from the probe development efforts to identify agonists of the Transient Receptor Potential Channels 3 and 2 (TRPML3 and TRPML2). (Class of assay: screening) [Related pubchem assays (depositor defined):AID1448, AID1525, AID1526, AID1562, AID1682, AID1809] Panel member name: TRPML3 Dose Response ChEMBL. No reference
EC50 (functional) = 0.823 um PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for agonists of the transient receptor potential channel ML3 (TRPML3). (Class of assay: confirmatory) [Related pubchem assays: 1526, 1424, 1448 ] ChEMBL. No reference
EC50 (functional) = 13.7 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
EC50 = 14 um PUBCHEM_BIOASSAY: Late stage results from the probe development efforts to identify agonists of the Transient Receptor Potential Channels 3 and 2 (TRPML3 and TRPML2). (Class of assay: screening) [Related pubchem assays (depositor defined):AID1448, AID1525, AID1526, AID1562, AID1682, AID1809] Panel member name: TRPN1 Dose Response ChEMBL. No reference
EC50 (functional) > 29.9 um PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPML3 agonists: dose response cell-based high-throughput screening assay to identify agonists of the transient receptor potential channel N1 (TRPN1). (Class of assay: confirmatory) [Related pubchem assays: 1526, 1424, 1448 ] ChEMBL. No reference
Potency (functional) 11.2202 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) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

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