TDR Targets

Basic information

Technical information

TDR Targets ID: 1479251
Name: 1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)- 3-(cyclohexyl-methylamino)propan-2-ol
MW: 446.989 | Formula: C20H31ClN2O5S
H donors: 1 H acceptors: 3 LogP: 2.53 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(CN(C1CCCCC1)C)COc1ccc(cc1Cl)S(=O)(=O)N1CCOCC1
InChi: 1S/C20H31ClN2O5S/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
InChiKey: LFWAPNUUBLZBSZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

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

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

Ranking Plot

Putative Targets List

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

Activities

No activities found for this compound.

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

ChEMBL: CHEMBL1620223

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1479251