Detailed information for compound 1308722

Basic information

Technical information
  • TDR Targets ID: 1308722
  • Name: 1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)- 3-(cyclohexyl-methylamino)propan-2-ol hydroch loride
  • MW: 483.449 | Formula: C20H32Cl2N2O5S
  • H donors: 1 H acceptors: 3 LogP: 3.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN(C1CCCCC1)C)COc1ccc(cc1Cl)S(=O)(=O)N1CCOCC1.Cl
  • InChi: 1S/C20H31ClN2O5S.ClH/c1-22(16-5-3-2-4-6-16)14-17(24)15-28-20-8-7-18(13-19(20)21)29(25,26)23-9-11-27-12-10-23;/h7-8,13,16-17,24H,2-6,9-12,14-15H2,1H3;1H
  • InChiKey: GMANUGIBTKLNLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-chloro-4-morpholinosulfonyl-phenoxy)-3-(cyclohexyl-methyl-amino)propan-2-ol hydrochloride
  • 1-(2-chloro-4-morpholinosulfonylphenoxy)-3-(cyclohexyl-methylamino)propan-2-ol hydrochloride
  • 1-(2-chloro-4-morpholin-4-ylsulfonyl-phenoxy)-3-(cyclohexyl-methyl-amino)propan-2-ol hydrochloride
  • T0515-1951

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 synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0221 0.0478
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0151 0.4744
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0213 0.1105 0.3498
Echinococcus multilocularis Niemann Pick C1 protein 0.0299 0.1614 0.1546
Giardia lamblia CDC72 0.0536 0.3007 0.5
Loa Loa (eye worm) hypothetical protein 0.0155 0.0767 0.255
Loa Loa (eye worm) hypothetical protein 0.0049 0.0143 0.0474
Echinococcus multilocularis expressed conserved protein 0.0197 0.1011 0.0937
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 0.5
Brugia malayi beta-lactamase 0.0039 0.0081 0.027
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Brugia malayi beta-lactamase family protein 0.0039 0.0081 0.027
Loa Loa (eye worm) N-myristoyltransferase 2 0.0536 0.3007 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0307 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0536 0.3007 0.2949
Trypanosoma cruzi N-myristoyl transferase, putative 0.0536 0.3007 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0352 0.1925 0.6304
Schistosoma mansoni hypothetical protein 0.0049 0.0143 0.021
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0536 0.3007 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0081 0.027
Schistosoma mansoni hypothetical protein 0.0049 0.0143 0.021
Brugia malayi Probable ClpP-like protease 0.0077 0.0307 0.1022
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0151 0.0569
Echinococcus granulosus sterol regulatory element binding protein 0.009 0.0382 0.1029
Schistosoma mansoni hypothetical protein 0.0087 0.0363 0.0964
Trichomonas vaginalis N-myristoyl transferase, putative 0.0536 0.3007 1
Echinococcus multilocularis sterol regulatory element binding protein 0.009 0.0382 0.0304
Trypanosoma brucei N-myristoyl transferase, putative 0.0536 0.3007 1
Echinococcus multilocularis protein dispatched 1 0.0103 0.0457 0.0379
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0151 0.0569
Echinococcus granulosus Niemann Pick C1 protein 0.0209 0.1086 0.3433
Loa Loa (eye worm) hypothetical protein 0.011 0.0501 0.1668
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0192 0.0638
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0307 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0216 0.0719
Onchocerca volvulus 0.0039 0.0081 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.0767 0.255
Onchocerca volvulus 0.0039 0.0081 0.5
Brugia malayi TAR-binding protein 0.0062 0.0221 0.0735
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0143 0.0474
Echinococcus granulosus Protein patched homolog 1 0.009 0.0382 0.1029
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.001 0.0033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0221 0.0478
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0216 0.5973
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0478 0.1589
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Schistosoma mansoni hypothetical protein 0.0049 0.0143 0.021
Brugia malayi N-myristoyltransferase 2 0.0536 0.3007 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0081 0.2397
Loa Loa (eye worm) hypothetical protein 0.0077 0.0307 0.1022
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0221 0.0141
Onchocerca volvulus 0.0039 0.0081 0.5
Schistosoma mansoni hypothetical protein 0.0087 0.0363 0.0964
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.1307 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0221 0.0735
Schistosoma mansoni hypothetical protein 0.0087 0.0363 0.0964
Loa Loa (eye worm) hypothetical protein 0.0209 0.1086 0.3611
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0216 0.0136
Echinococcus multilocularis Niemann Pick C1 protein 0.0209 0.1086 0.1013
Brugia malayi Niemann-Pick C1 protein precursor 0.0209 0.1086 0.3611
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.009 0.0382 0.1272
Brugia malayi CHE-14 protein 0.009 0.0382 0.1272
Loa Loa (eye worm) RNA binding protein 0.0062 0.0221 0.0735
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0536 0.3007 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0307 0.1022
Echinococcus multilocularis protein patched 0.009 0.0382 0.0304
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0221 0.0478
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0143 0.0474
Brugia malayi RNA binding protein 0.0062 0.0221 0.0735
Schistosoma mansoni hypothetical protein 0.0049 0.0143 0.021
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0307 0.0228
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0143 0.021
Schistosoma mansoni N-myristoyltransferase 0.0536 0.3007 1
Echinococcus granulosus Niemann Pick C1 protein 0.0299 0.1614 0.524
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0143 0.021
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0216 0.0719
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0307 1
Schistosoma mansoni hypothetical protein 0.0087 0.0363 0.0964
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0081 0.027
Schistosoma mansoni hypothetical protein 0.0106 0.0478 0.1355
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0221 0.0478
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0216 0.5973
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.0767 0.255
Toxoplasma gondii ABC1 family protein 0.0039 0.0081 0.2646
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0307 0.0772
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0081 0.027
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0536 0.3007 1
Trichomonas vaginalis conserved hypothetical protein 0.009 0.0382 0.1029
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0151 0.007
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0221 0.0735
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0081 0.027
Toxoplasma gondii hypothetical protein 0.0027 0.001 0.0328
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0221 0.0735
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0081 0.027
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0216 0.0461
Echinococcus granulosus GPCR family 2 0.0049 0.0143 0.021
Loa Loa (eye worm) beta-lactamase 0.0039 0.0081 0.027
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0536 0.3007 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0143 0.0062
Echinococcus granulosus expressed conserved protein 0.0197 0.1011 0.3178
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Loa Loa (eye worm) hypothetical protein 0.0106 0.0478 0.1589
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0307 0.0772
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0151 0.0238
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0143 0.0062
Trypanosoma brucei N-myristoyltransferase 0.0536 0.3007 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0216 0.1101
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0216 0.0461
Mycobacterium leprae Probable lipase LipE 0.0039 0.0081 0.2397
Echinococcus multilocularis GPCR, family 2 0.0049 0.0143 0.0062
Loa Loa (eye worm) hypothetical protein 0.009 0.0382 0.1272
Leishmania major N-myristoyl transferase, putative 0.0536 0.3007 1
Brugia malayi beta-lactamase family protein 0.0039 0.0081 0.027
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0081 0.027
Trypanosoma cruzi N-myristoyl transferase, putative 0.0536 0.3007 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.001 0.0033
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0143 0.0474
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.0767 0.255
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0221 0.0478
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0307 0.1022
Echinococcus granulosus tar DNA binding protein 0.0062 0.0221 0.0478
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.027
Schistosoma mansoni patched 1 0.009 0.0382 0.1029
Leishmania major hypothetical protein, conserved 0.0039 0.0081 0.027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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

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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