Detailed information for compound 1273665

Basic information

Technical information
  • TDR Targets ID: 1273665
  • Name: (1S,2R)-2-[(4-morpholin-4-ylsulfonylphenyl)ca rbamoyl]cyclohexane-1-carboxylic acid
  • MW: 396.458 | Formula: C18H24N2O6S
  • H donors: 2 H acceptors: 5 LogP: 0.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CCCC[C@@H]1C(=O)O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C18H24N2O6S/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)27(24,25)20-9-11-26-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/t15-,16+/m1/s1
  • InChiKey: CENXCJHCGKRXDR-CVEARBPZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,2R)-2-[(4-morpholinosulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
  • (1S,2R)-2-[[(4-morpholinosulfonylphenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid
  • ALD-N004239
  • AN-329/41402692
  • UNM000003579401
  • ARONIS003239

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans glutaminase 0.033 0.3852 1
Brugia malayi glutaminase DH11.1 0.033 0.3852 0.5771
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0094 0.0805 0.1207
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Schistosoma mansoni tar DNA-binding protein 0.0549 0.6675 0.6675
Loa Loa (eye worm) glutaminase 2 0.033 0.3852 0.5771
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0005 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0549 0.6675 0.6675
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0003 0.0003
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0094 0.0805 0.828
Brugia malayi RNA binding protein 0.0549 0.6675 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0893 0.1338
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0973 0.2525
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0973 0.2525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0557 0.1447
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0406 0.1055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0557 0.1447
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.023 0.2557 0.3831
Loa Loa (eye worm) RNA binding protein 0.0549 0.6675 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0973 0.2525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0247 0.0641
Echinococcus granulosus geminin 0.0162 0.1682 0.1682
Brugia malayi MH2 domain containing protein 0.0403 0.4791 0.7178
Schistosoma mansoni tar DNA-binding protein 0.0549 0.6675 0.6675
Schistosoma mansoni hypothetical protein 0.0162 0.1682 0.1682
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0482 0.0722
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0094 0.0805 0.0805
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0973 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0248 0.0644
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0094 0.0805 0.828
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0094 0.0805 0.828
Brugia malayi beta-lactamase family protein 0.0107 0.0973 0.1457
Trichomonas vaginalis set domain proteins, putative 0.0261 0.2967 0.7701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0247 0.0641
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0044 0.0167 0.1714
Echinococcus granulosus GPCR family 2 0.0032 0.0005 0.0005
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0039 0.0097 0.0997
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0973 0.0973
Brugia malayi TAR-binding protein 0.0549 0.6675 1
Brugia malayi beta-lactamase family protein 0.0107 0.0973 0.1457
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0075 0.0558 0.5742
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Toxoplasma gondii ABC1 family protein 0.0107 0.0973 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0019 0.0028
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0775 0.9588 0.9588
Leishmania major hypothetical protein, conserved 0.0107 0.0973 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0094 0.0805 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0893 0.1338
Toxoplasma gondii target of rapamycin (TOR), putative 0.007 0.0495 0.4992
Trichomonas vaginalis glutaminase, putative 0.033 0.3852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0318 0.0825
Schistosoma mansoni hypothetical protein 0.0162 0.1682 0.1682
Schistosoma mansoni hypothetical protein 0.0069 0.0482 0.0482
Echinococcus multilocularis GPCR, family 2 0.0032 0.0005 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0318 0.0825
Brugia malayi Pre-SET motif family protein 0.0033 0.0019 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0019 0.0019
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0019 0.0019
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0973 0.0973
Loa Loa (eye worm) hypothetical protein 0.0101 0.0893 0.1338
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0973 0.1457
Loa Loa (eye worm) hypothetical protein 0.0069 0.0482 0.0722
Loa Loa (eye worm) hypothetical protein 0.0052 0.0261 0.0392
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0973 0.0973
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.2557 0.3831
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0019 0.0019
Loa Loa (eye worm) MH2 domain-containing protein 0.0403 0.4791 0.7178
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Trichomonas vaginalis esterase, putative 0.0107 0.0973 0.2525
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0261 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0019
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0005 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.038 0.0987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0248 0.0644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0311 0.0806
Echinococcus multilocularis microtubule associated protein 2 0.0807 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0403 0.4791 0.7178
Onchocerca volvulus 0.0107 0.0973 0.3236
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0973 0.2525
Schistosoma mansoni tar DNA-binding protein 0.0549 0.6675 0.6675
Echinococcus granulosus tumor protein p63 0.0354 0.4156 0.4156
Brugia malayi beta-lactamase 0.0107 0.0973 0.1457
Schistosoma mansoni microtubule-associated protein tau 0.0807 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0094 0.0805 0.828
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0973 0.0973
Schistosoma mansoni hypothetical protein 0.0032 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Schistosoma mansoni hypothetical protein 0.0032 0.0005 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0557 0.1447
Loa Loa (eye worm) TAR-binding protein 0.0549 0.6675 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0019
Echinococcus multilocularis tar DNA binding protein 0.0549 0.6675 0.6675
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0628 0.1631
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0094 0.0805 0.0805
Loa Loa (eye worm) glutaminase 0.033 0.3852 0.5771
Schistosoma mansoni glutaminase 0.033 0.3852 0.3852
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Loa Loa (eye worm) hypothetical protein 0.0032 0.0005 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0311 0.0806
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Onchocerca volvulus 0.0052 0.0261 0.0823
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0094 0.0805 0.828
Echinococcus multilocularis tumor protein p63 0.0354 0.4156 0.4156
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0019 0.0019
Echinococcus granulosus tar DNA binding protein 0.0549 0.6675 0.6675
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0973 1
Onchocerca volvulus 0.0107 0.0973 0.3236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0893 0.1338
Brugia malayi RNA recognition motif domain containing protein 0.0549 0.6675 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.0805 0.2091
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0094 0.0805 0.0805
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.0805 0.2091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0557 0.1447
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0973 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0075 0.0558 0.5742
Mycobacterium leprae Probable lipase LipE 0.0107 0.0973 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0973 0.1457
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0683 0.8404 1
Loa Loa (eye worm) beta-lactamase 0.0107 0.0973 0.1457
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0549 0.6675 1
Giardia lamblia GTOR 0.0094 0.0805 0.5
Schistosoma mansoni tar DNA-binding protein 0.0549 0.6675 0.6675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0557 0.1447
Onchocerca volvulus 0.0261 0.2967 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0005 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0247 0.0641
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0973 0.2525
Schistosoma mansoni hypothetical protein 0.0032 0.0005 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0248 0.0644
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0005 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Loa Loa (eye worm) phosphatidylinositol 3 0.0094 0.0805 0.1207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0318 0.0825
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0973 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0094 0.0805 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0248 0.0644
Onchocerca volvulus 0.0107 0.0973 0.3236
Schistosoma mansoni hypothetical protein 0.0032 0.0005 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.0805 0.2091
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0075 0.0558 0.5742
Echinococcus multilocularis geminin 0.0162 0.1682 0.1682
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0005 0.0007
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0094 0.0805 0.828
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0495 0.1285
Loa Loa (eye worm) hypothetical protein 0.0107 0.0973 0.1457
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0973 1

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) 37.6858 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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