TDR Targets

Basic information

Technical information

TDR Targets ID: 111204
Name: (2S,3R,26R,27R)-2,27-diamino-1,3,26-trihydrox yoctacosan-11-one
MW: 486.771 | Formula: C28H58N2O4
H donors: 5 H acceptors: 4 LogP: 5.7 Rotable bonds: 26
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]([C@@H](CCCCCCCC(=O)CCCCCCCCCCCCCC[C@H]([C@H](N)C)O)O)N
InChi: 1S/C28H58N2O4/c1-24(29)27(33)21-17-13-9-7-5-3-2-4-6-8-11-15-19-25(32)20-16-12-10-14-18-22-28(34)26(30)23-31/h24,26-28,31,33-34H,2-23,29-30H2,1H3/t24-,26+,27-,28-/m1/s1
InChiKey: MLAUFTDRZCCVCB-KCPYNUOSSA-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

(2S,3R,26R,27R)-2,27-diamino-1,3,26-trihydroxy-octacosan-11-one
(2S,3R,26R,27R)-2,27-diamino-1,3,26-trihydroxy-11-octacosanone
(2S,3R,26R,27R)-2,27-bis(azanyl)-1,3,26-trihydroxy-octacosan-11-one

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
Trypanosoma cruzi	cysteine peptidase, putative	0.2027	0.5568	0.5568
Onchocerca volvulus		0.2027	0.5568	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0616	0.06	0.1078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0573	0.0446	0.0446
Trypanosoma cruzi	cysteine proteinase, putative	0.1087	0.2257	0.2257
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1087	0.2257	0.2257
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1324	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Leishmania major	cysteine peptidase A (CPA)	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.1386	0.3311	0.3311
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2027	0.5568	0.5568
Plasmodium vivax	vivapain-3	0.1087	0.2257	0.4054
Schistosoma mansoni	voltage-gated potassium channel	0.072	0.0966	0.0966
Onchocerca volvulus	Cathepsin F homolog	0.2027	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Loa Loa (eye worm)	cathepsin B	0.1324	0.3093	0.3093
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0641	0.0688	0.0688
Plasmodium vivax	unspecified product	0.0641	0.0688	0.1236
Echinococcus multilocularis	cathepsin b	0.3286	1	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Schistosoma mansoni	cathepsin F (C01 family)	0.2027	0.5568	0.5568
Echinococcus multilocularis	cathepsin b	0.3286	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.1087	0.2257	0.2257
Echinococcus granulosus	cathepsin b	0.3286	1	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3286	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.2027	0.5568	0.5568
Trypanosoma cruzi	cysteine peptidase, putative	0.1087	0.2257	0.2257
Onchocerca volvulus		0.2027	0.5568	1
Echinococcus granulosus	cathepsin l1	0.2027	0.5568	0.5568
Brugia malayi	Papain family cysteine protease containing protein	0.1087	0.2257	0.2257
Trypanosoma cruzi	cysteine peptidase, putative	0.2027	0.5568	0.5568
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0616	0.06	0.1078
Brugia malayi	Cathepsin L-like precursor	0.1386	0.3311	0.3311
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1386	0.3311	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Plasmodium vivax	unspecified product	0.1087	0.2257	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1324	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1087	0.2257	0.2257
Plasmodium vivax	vivapain-2	0.2027	0.5568	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.066	0.0753	0.0753
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1087	0.2257	0.2257
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Entamoeba histolytica	cysteine proteinase, putative	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1386	0.3311	0.5946
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Loa Loa (eye worm)	fibroinase	0.2027	0.5568	0.5568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0641	0.0688	0.0688
Entamoeba histolytica	cysteine proteinase, putative	0.1386	0.3311	0.5946
Echinococcus multilocularis	cysteine protease	0.2027	0.5568	0.5568
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0641	0.0688	0.0688
Giardia lamblia	Cathepsin B precursor	0.1324	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1087	0.2257	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0641	0.0688	0.0688
Onchocerca volvulus		0.2027	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Giardia lamblia	Cathepsin B precursor	0.1324	0.3093	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.2027	0.5568	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1324	0.3093	0.5554
Giardia lamblia	Cathepsin B precursor	0.1324	0.3093	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2027	0.5568	0.5568
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Trypanosoma cruzi	cysteine peptidase, putative	0.2027	0.5568	0.5568
Plasmodium falciparum	cysteine proteinase falcipain 1	0.1087	0.2257	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.1087	0.2257	0.4054
Toxoplasma gondii	cathepsin CPL	0.2027	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Plasmodium vivax	vivapain-2	0.2027	0.5568	1
Onchocerca volvulus		0.2027	0.5568	1
Echinococcus multilocularis	cysteine protease	0.2027	0.5568	0.5568
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2027	0.5568	0.5568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2027	0.5568	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2027	0.5568	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Echinococcus granulosus	cathepsin L cysteine protease	0.1087	0.2257	0.2257
Echinococcus granulosus	cathepsin l1	0.1386	0.3311	0.3311
Onchocerca volvulus		0.2027	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.1386	0.3311	0.3311
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.2027	0.5568	0.5568
Trypanosoma cruzi	cysteine protease, putative	0.1087	0.2257	0.2257
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Onchocerca volvulus	Cathepsin L homolog	0.2027	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Echinococcus granulosus	cathepsin L	0.1087	0.2257	0.2257
Loa Loa (eye worm)	ctsf protein	0.2027	0.5568	0.5568
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2027	0.5568	0.5568
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Onchocerca volvulus		0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.3286	1	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.1386	0.3311	0.3311
Loa Loa (eye worm)	hypothetical protein	0.1386	0.3311	0.3311
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Loa Loa (eye worm)	cysteine protease	0.2027	0.5568	0.5568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.1087	0.2257	0.2257
Entamoeba histolytica	cysteine proteinase, putative	0.1087	0.2257	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0641	0.0688	0.0688
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.3286	1	1
Echinococcus granulosus	cathepsin b	0.3286	1	1
Echinococcus granulosus	cysteine protease	0.1087	0.2257	0.2257
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3286	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.1087	0.2257	0.2257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0641	0.0688	0.0688
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.3286	1	1
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.066	0.0753	0.0753
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2027	0.5568	0.5568
Onchocerca volvulus		0.1386	0.3311	0.5946
Schistosoma mansoni	cathepsin F (C01 family)	0.2027	0.5568	0.5568
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1324	0.3093	0.2523
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2027	0.5568	0.5568
Loa Loa (eye worm)	hypothetical protein	0.2027	0.5568	0.5568
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1386	0.3311	0.3311
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2027	0.5568	0.5568
Entamoeba histolytica	cysteine proteinase 2	0.1087	0.2257	0.4054
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Entamoeba histolytica	cysteine proteinase, putative	0.1087	0.2257	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3286	1	1
Entamoeba histolytica	cysteine protease, putative	0.1087	0.2257	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2027	0.5568	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.066	0.0753	0.0753
Onchocerca volvulus		0.2027	0.5568	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0641	0.0688	0.0688
Entamoeba histolytica	cysteine proteinase 1, putative	0.1087	0.2257	0.4054
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.066	0.0753	0.0753
Onchocerca volvulus	Cathepsin L homolog	0.2027	0.5568	1
Entamoeba histolytica	cysteine proteinase, putative	0.1087	0.2257	0.4054
Toxoplasma gondii	cathepsin B	0.1324	0.3093	0.5554
Schistosoma mansoni	voltage-gated potassium channel	0.072	0.0966	0.0966
Trypanosoma cruzi	cruzipain precursor, putative	0.2027	0.5568	0.5568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2027	0.5568	1
Loa Loa (eye worm)	hypothetical protein	0.0641	0.0688	0.0688
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Leishmania major	cathepsin L-like protease	0.2027	0.5568	1
Brugia malayi	Papain family cysteine protease containing protein	0.2027	0.5568	0.5568
Schistosoma mansoni	cathepsin s	0.0641	0.0688	0.0688
Schistosoma mansoni	cathepsin F (C01 family)	0.1386	0.3311	0.3311
Brugia malayi	Cathepsin L-like precursor	0.0641	0.0688	0.0688
Brugia malayi	cathepsin L-like precursor	0.1386	0.3311	0.3311
Plasmodium vivax	vivapain-1	0.1087	0.2257	0.4054
Echinococcus multilocularis	cathepsin L	0.1087	0.2257	0.2257
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2027	0.5568	1
Brugia malayi	Cathepsin L-like precursor	0.2027	0.5568	0.5568
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.1386	0.3311	0.3311
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1087	0.2257	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2027	0.5568	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 0.3 ug/mL before dilution replating; growth in media	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 1 ug/mL before dilution replating; growth in media	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 3 ug/mL before dilution replating; growth in media	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 5 ug/mL before dilution replating; no fungistatic growth on plate	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 6 ug/mL before dilution replating; no fungistatic growth on plate	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 10 ug/mL before dilution replating; no fungicidal growth on plate	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 12 ug/mL before dilution replating; no grwth in media	ChEMBL.	12127527
Activity (functional)	0	Fungicidal versus fungistatic activity of bifunctional sphingolipids against C. glabrata at a concentration of 30 ug/mL before dilution replating; not tested	ChEMBL.	12127527
MIC (functional)	= 3 ug ml-1	Minimum inhibitory concentration against Candida glabrata	ChEMBL.	12127527
MIC (functional)	= 6.2 uM	Minimum inhibitory concentration against Candida glabrata	ChEMBL.	12127527

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: CHEMBL422410
PubChem: 10435527

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 111204