TDR Targets

Basic information

Technical information

TDR Targets ID: 1435902
Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfa nyl]-N-(2,3-dimethylcyclohexyl)acetamide
MW: 297.42 | Formula: C13H23N5OS
H donors: 2 H acceptors: 3 LogP: 2.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CCCC(C1C)C)CSc1nnc(n1N)C
InChi: 1S/C13H23N5OS/c1-8-5-4-6-11(9(8)2)15-12(19)7-20-13-17-16-10(3)18(13)14/h8-9,11H,4-7,14H2,1-3H3,(H,15,19)
InChiKey: WHJAUBYNWWGLFF-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

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethylcyclohexyl)acetamide
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)ethanamide
T5296677

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415

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	Phosphatidylinositol 3- and 4-kinase family protein	0.0984	0.3138	0.3138
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0298	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0529	0.1159	0.2078
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1143	0.3828	0.9413
Leishmania major	hypothetical protein, conserved	0.028	0.0077	0.0189
Giardia lamblia	GTOR	0.1143	0.3828	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.3406	0.8376
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0984	0.3138	0.8198
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1046	0.3407	0.838
Trypanosoma cruzi	target of rapamycin kinase 3	0.1046	0.3407	0.3407
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0827	0.2457	0.6042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1143	0.3828	0.9413
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1197	0.4066	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0464	0.0878	0.0878
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0747	0.2108	0.5185
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0477	0.0934	0.0934
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0477	0.0934	0.0934
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1197	0.4066	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.4066	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0432	0.0737	0.1812
Schistosoma mansoni	hypothetical protein	0.035	0.0381	0.0381
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0815	0.2401	0.6273
Entamoeba histolytica	hypothetical protein	0.0477	0.0934	0.2441
Trichomonas vaginalis	conserved hypothetical protein	0.0529	0.1159	0.2851
Loa Loa (eye worm)	phosphatidylinositol 3	0.1545	0.5579	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0827	0.2457	0.6042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.1777	0.4369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.3406	0.8376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.3406	0.8376
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0522	0.113	0.2952
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1143	0.3828	0.3828
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1143	0.3828	0.3828
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0263	0	0.5
Toxoplasma gondii	FATC domain-containing protein	0.0477	0.0934	0.2832
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0555	0.1271	0.2598
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1143	0.3828	0.9413
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0477	0.0934	0.0934
Loa Loa (eye worm)	hypothetical protein	0.037	0.0468	0.0838
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0432	0.0737	0.1925
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0724	0.2008	0.4938
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1143	0.3828	0.3828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0477	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1715	0.6315	0.6315
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2877	0.7076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.1777	0.4369
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0692	0.1867	0.1867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0827	0.2457	0.6042
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2562	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0298	0.0156	0.0383
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0477	0.0934	0.2298
Entamoeba histolytica	hypothetical protein	0.0815	0.2401	0.6273
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2877	0.7076
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0432	0.0737	0.1812
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0984	0.3138	0.3138
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0129	0.0232
Loa Loa (eye worm)	phosphatidylinositol 3	0.1197	0.4066	0.7289
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0847	0.2544	0.6646
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0477	0.0934	0.2298
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0432	0.0737	0.1812
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2879	0.708
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0477	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.3406	0.8376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0827	0.2457	0.6042
Entamoeba histolytica	protein kinase rad3, putative	0.0477	0.0934	0.2441
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1021	0.3299	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0827	0.2457	0.6042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0298	0.0156	0.0383
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2562	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0793	0.2305	0.5669
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1715	0.6315	0.6315
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2879	0.708
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.035	0.0381	0.0381
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0432	0.0737	0.1812
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0432	0.0737	0.0737
Loa Loa (eye worm)	phosphatidylinositol 3	0.1143	0.3828	0.6861
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0984	0.3138	0.7717
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1143	0.3828	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0276	0.0057	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2879	0.708
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0263	0	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1715	0.6315	0.6315
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1143	0.3828	0.3828
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0529	0.1159	0.3514
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.035	0.0381	0.0381
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0692	0.1867	0.1867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2879	0.708
Trichomonas vaginalis	conserved hypothetical protein	0.035	0.0381	0.0936
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2562	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0477	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1143	0.3828	0.9413
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0731	0.2036	0.2036
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0805	0.2359	0.6164
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1143	0.3828	0.3828
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0432	0.0737	0.1925
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1143	0.3828	0.9413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0477	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.1777	0.4369
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1143	0.3828	0.9413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0477	0.0934	0.2298
Brugia malayi	FAT domain containing protein	0.035	0.0381	0.0381
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0626	0.1581	0.3889
Loa Loa (eye worm)	hypothetical protein	0.0692	0.1867	0.3346
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1143	0.3828	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0464	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0477	0.0934	0.1675
Echinococcus multilocularis	serine protein kinase ATM	0.0477	0.0934	0.0934
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1046	0.3407	0.838
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0432	0.0737	0.0737
Echinococcus granulosus	serine protein kinase ATM	0.0477	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.3299	0.8114
Loa Loa (eye worm)	hypothetical protein	0.0298	0.0156	0.0279
Schistosoma mansoni	hypothetical protein	0.035	0.0381	0.0381
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1143	0.3828	0.3828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0695	0.1883	0.4631
Loa Loa (eye worm)	hypothetical protein	0.035	0.0381	0.0682
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0949	0.2985	0.7342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0924	0.2877	0.7076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.3406	0.8376
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0984	0.3138	0.3138
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2562	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0827	0.2457	0.6042
Loa Loa (eye worm)	hypothetical protein	0.037	0.0468	0.0838
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0432	0.0737	0.0737
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0984	0.3138	0.7717
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0477	0.0934	0.0934
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0984	0.3138	0.7717
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0373	0.0479	0.1178
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0692	0.1867	0.1867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0949	0.2985	0.7342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1143	0.3828	0.9413
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0724	0.2008	0.4938
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0847	0.2544	0.6256
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2562	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	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
Potency (functional)	125.8925 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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

ChEMBL: CHEMBL1603529

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1435902