TDR Targets

Basic information

Technical information

TDR Targets ID: 1405937
Name: [3-(4-methylphenyl)-1-adamantyl]methanamine h ydrochloride
MW: 291.859 | Formula: C18H26ClN
H donors: 1 H acceptors: 0 LogP: 4.86 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NCC12CC3CC(C1)CC(C2)(C3)c1ccc(cc1)C.Cl
InChi: 1S/C18H25N.ClH/c1-13-2-4-16(5-3-13)18-9-14-6-15(10-18)8-17(7-14,11-18)12-19;/h2-5,14-15H,6-12,19H2,1H3;1H
InChiKey: BMJMFSXBNXRZHW-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

[3-(p-tolyl)-1-adamantyl]methanamine hydrochloride
[3-(p-tolyl)-1-adamantyl]methylamine hydrochloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	serine repeat antigen 3	0.0268	0.0818	0.2368
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0001	0.0001
Brugia malayi	cathepsin F-like cysteine proteinase	0.0268	0.0818	0.0818
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0325	0.1006	0.1006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0745	0.2385	0.6519
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Brugia malayi	hypothetical protein	0.0109	0.0296	0.0296
Schistosoma mansoni	ap endonuclease	0.0019	0.0001	0.0001
Onchocerca volvulus		0.107	0.3454	1
Brugia malayi	cathepsin L-like precursor	0.0745	0.2385	0.2385
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0268	0.0818	0.2234
Schistosoma mansoni	cathepsin C	0.0268	0.0818	0.0818
Onchocerca volvulus		0.027	0.0824	0.2386
Loa Loa (eye worm)	hypothetical protein	0.0745	0.2385	0.2385
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.027	0.0824	1
Plasmodium vivax	unspecified product	0.0593	0.1887	0.5462
Entamoeba histolytica	hypothetical protein	0.0268	0.0818	0.2366
Trypanosoma cruzi	cysteine peptidase, putative	0.107	0.3454	0.3453
Loa Loa (eye worm)	hypothetical protein	0.0745	0.2385	0.2385
Brugia malayi	Papain family cysteine protease containing protein	0.0593	0.1887	0.1887
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Brugia malayi	Papain family cysteine protease containing protein	0.0268	0.0818	0.0818
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0268	0.0818	0.2234
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0001	1
Entamoeba histolytica	cysteine proteinase, putative	0.107	0.3454	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0593	0.1887	0.1886
Echinococcus granulosus	cathepsin L cysteine protease	0.0593	0.1887	0.1887
Echinococcus multilocularis	cathepsin L	0.0268	0.0818	0.0818
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Giardia lamblia	Cathepsin B precursor	0.1133	0.3658	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.107	0.3454	0.9441
Echinococcus multilocularis	cathepsin L	0.0593	0.1887	0.1887
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0001	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.027	0.0824	0.0824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Plasmodium falciparum	serine repeat antigen 7	0.0268	0.0818	0.2368
Plasmodium falciparum	serine repeat antigen 4	0.0268	0.0818	0.2368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0593	0.1887	0.5156
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0001	0.0001
Entamoeba histolytica	cysteine proteinase, putative	0.0593	0.1887	0.5461
Toxoplasma gondii	cathepsin CPC2	0.0268	0.0818	0.2236
Schistosoma mansoni	cathepsin F (C01 family)	0.107	0.3454	0.3454
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0745	0.2385	0.6519
Brugia malayi	fibroinase precursor	0.0268	0.0818	0.0818
Trypanosoma cruzi	major cysteine proteinase, putative	0.0268	0.0818	0.0818
Leishmania major	cysteine peptidase A (CPA)	0.107	0.3454	0.9442
Plasmodium vivax	vivapain-2	0.107	0.3454	1
Trypanosoma cruzi	cruzipain precursor, putative	0.107	0.3454	0.3453
Brugia malayi	cathepsin F-like cysteine proteinase	0.0325	0.1006	0.1006
Onchocerca volvulus		0.107	0.3454	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0268	0.0818	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Trypanosoma cruzi	cysteine peptidase, putative	0.107	0.3454	0.3453
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0593	0.1887	0.1887
Giardia lamblia	Cysteine protease	0.0268	0.0818	0.2234
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0268	0.0818	0.2368
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0593	0.1887	0.5462
Giardia lamblia	Cathepsin B precursor	0.1133	0.3658	1
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Plasmodium vivax	serine-repeat antigen (SERA)	0.0268	0.0818	0.2368
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0136	0.0136
Echinococcus multilocularis	cathepsin L cysteine protease	0.107	0.3454	0.3454
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.1133	0.3658	1
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Loa Loa (eye worm)	fibroinase	0.107	0.3454	0.3454
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine proteinase, putative	0.0745	0.2385	0.6905
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0593	0.1887	0.1886
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0268	0.0818	0.0818
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.107	0.3454	0.9441
Schistosoma mansoni	cathepsin s	0.0325	0.1006	0.1006
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0268	0.0818	0.2366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Brugia malayi	Cathepsin L-like precursor	0.0325	0.1006	0.1006
Trypanosoma cruzi	cysteine peptidase, putative	0.107	0.3454	0.3453
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0001	0.0001
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1133	0.3658	0.3658
Onchocerca volvulus		0.0745	0.2385	0.6906
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0268	0.0818	0.2366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Onchocerca volvulus	Cathepsin L homolog	0.107	0.3454	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0268	0.0818	0.2368
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0268	0.0818	0.2234
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.107	0.3454	0.3454
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0268	0.0818	0.2368
Echinococcus granulosus	cathepsin L	0.0268	0.0818	0.0818
Echinococcus multilocularis	cysteine protease	0.107	0.3454	0.3454
Giardia lamblia	Encystation-specific protease	0.0268	0.0818	0.2234
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0593	0.1887	0.1887
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0268	0.0818	0.2234
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0268	0.0818	0.2368
Toxoplasma gondii	cathepsin B	0.1133	0.3658	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0268	0.0818	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Giardia lamblia	Cathepsin B precursor	0.1133	0.3658	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0268	0.0818	0.2368
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0136	0.0136
Giardia lamblia	Cathepsin B precursor	0.0268	0.0818	0.2234
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1006	0.1006
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0268	0.0818	0.0818
Plasmodium vivax	unspecified product	0.0268	0.0818	0.2368
Giardia lamblia	Cathepsin B precursor	0.0268	0.0818	0.2234
Giardia lamblia	Cathepsin L-like protease	0.0268	0.0818	0.2234
Plasmodium vivax	vivapain-2	0.107	0.3454	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Toxoplasma gondii	cathepsin CPC1	0.0268	0.0818	0.2236
Giardia lamblia	Cathepsin B precursor	0.0268	0.0818	0.2234
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Echinococcus granulosus	cathepsin l cysteine peptidase	0.107	0.3454	0.3454
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0136	0.0136
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Onchocerca volvulus		0.0268	0.0818	0.2369
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1133	0.3658	0.3658
Giardia lamblia	Hypothetical protein	0.0268	0.0818	0.2234
Onchocerca volvulus	Cathepsin L homolog	0.107	0.3454	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.0824	0.0824
Giardia lamblia	Cysteine protease	0.0268	0.0818	0.2234
Plasmodium vivax	serine-repeat antigen (SERA)	0.0268	0.0818	0.2368
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Plasmodium falciparum	serine repeat antigen 8	0.0268	0.0818	0.2368
Onchocerca volvulus		0.027	0.0824	0.2386
Giardia lamblia	Cathepsin B precursor	0.0268	0.0818	0.2234
Giardia lamblia	Cathepsin B precursor	0.0268	0.0818	0.2234
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0268	0.0818	0.0818
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0268	0.0818	0.2368
Echinococcus multilocularis	translocator protein	0.027	0.0824	0.0824
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0268	0.0818	0.0818
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0268	0.0818	0.2368
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0268	0.0818	0.2368
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0268	0.0818	0.2234
Loa Loa (eye worm)	hypothetical protein	0.107	0.3454	0.3454
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0001	0.0003
Plasmodium falciparum	serine repeat antigen 5	0.0268	0.0818	0.2368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Schistosoma mansoni	cathepsin S (C01 family)	0.0268	0.0818	0.0818
Entamoeba histolytica	cysteine proteinase 2	0.0593	0.1887	0.5461
Plasmodium vivax	vivapain-1	0.0593	0.1887	0.5462
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.027	0.0824	0.0824
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Giardia lamblia	Cysteine protease	0.0268	0.0818	0.2234
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0001	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0268	0.0818	0.2234
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0268	0.0818	0.0818
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0268	0.0818	0.2234
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0325	0.1006	0.1006
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0268	0.0818	0.0818
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0073	0.0073
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0001	0.0001
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Onchocerca volvulus		0.107	0.3454	1
Loa Loa (eye worm)	cysteine protease	0.107	0.3454	0.3454
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1006	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0745	0.2385	0.2385
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.107	0.3454	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0268	0.0818	0.0818
Entamoeba histolytica	cysteine proteinase 1, putative	0.0593	0.1887	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0268	0.0818	0.2234
Brugia malayi	Papain family cysteine protease containing protein	0.0593	0.1887	0.1887
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Onchocerca volvulus	Cathepsin F homolog	0.107	0.3454	1
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Entamoeba histolytica	cysteine protease, putative	0.107	0.3454	1
Plasmodium falciparum	serine repeat antigen 2	0.0268	0.0818	0.2368
Brugia malayi	Cathepsin L-like precursor	0.0745	0.2385	0.2385
Brugia malayi	Papain family cysteine protease containing protein	0.0268	0.0818	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1006	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0745	0.2385	0.2385
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0268	0.0818	0.2236
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Plasmodium falciparum	cysteine proteinase falcipain 3	0.107	0.3454	1
Brugia malayi	Papain family cysteine protease containing protein	0.107	0.3454	0.3454
Trypanosoma cruzi	cysteine proteinase, putative	0.0593	0.1887	0.1886
Giardia lamblia	Cysteine protease	0.0268	0.0818	0.2234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0593	0.1887	0.5157
Brugia malayi	Papain family cysteine protease containing protein	0.0268	0.0818	0.0818
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0745	0.2385	0.2385
Onchocerca volvulus		0.107	0.3454	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0073	0.0073
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Onchocerca volvulus		0.107	0.3454	1
Brugia malayi	TspO/MBR family protein	0.027	0.0824	0.0824
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Echinococcus granulosus	cathepsin l1	0.0745	0.2385	0.2385
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Schistosoma mansoni	cathepsin B (C01 family)	0.0268	0.0818	0.0818
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0268	0.0818	0.0818
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.107	0.3454	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0268	0.0818	0.0818
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.0341	0.0341
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Plasmodium vivax	vivapain-3	0.0593	0.1887	0.5462
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1133	0.3658	1
Plasmodium falciparum	serine repeat antigen 9	0.0268	0.0818	0.2368
Loa Loa (eye worm)	hypothetical protein	0.027	0.0824	0.0824
Plasmodium falciparum	serine repeat antigen 1	0.0268	0.0818	0.2368
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0001	0.0001
Plasmodium falciparum	serine repeat antigen 6	0.0268	0.0818	0.2368
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0268	0.0818	0.0818
Brugia malayi	MH2 domain containing protein	0.0123	0.0341	0.0341
Loa Loa (eye worm)	hypothetical protein	0.006	0.0136	0.0136
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Echinococcus granulosus	cathepsin L	0.0593	0.1887	0.1887
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0268	0.0818	0.2368
Onchocerca volvulus		0.027	0.0824	0.2386
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0268	0.0818	0.2368
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0268	0.0818	0.0818
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0268	0.0818	0.0818
Giardia lamblia	Hypothetical protein	0.0268	0.0818	0.2234
Loa Loa (eye worm)	cathepsin B	0.1133	0.3658	0.3658
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0268	0.0818	0.0818
Trypanosoma cruzi	cysteine peptidase, putative	0.0325	0.1006	0.1006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Schistosoma mansoni	hypothetical protein	0.0041	0.0073	0.0073
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0268	0.0818	0.2234
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.0341	0.0341
Echinococcus multilocularis	cysteine protease	0.107	0.3454	0.3454
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Schistosoma mansoni	cathepsin F (C01 family)	0.0745	0.2385	0.2385
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0268	0.0818	0.2234
Echinococcus multilocularis	cathepsin L cysteine protease	0.107	0.3454	0.3454
Entamoeba histolytica	cysteine proteinase, putative	0.0593	0.1887	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Brugia malayi	cathepsin L-like cysteine proteinase	0.0268	0.0818	0.0818
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Loa Loa (eye worm)	hypothetical protein	0.027	0.0824	0.0824
Entamoeba histolytica	cysteine proteinase, putative	0.107	0.3454	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0268	0.0818	0.2368
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.107	0.3454	0.3454
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0268	0.0818	0.2234
Trypanosoma cruzi	cysteine protease, putative	0.0593	0.1887	0.1886
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0268	0.0818	0.2368
Echinococcus granulosus	translocator protein	0.027	0.0824	0.0824
Echinococcus granulosus	cathepsin l1	0.107	0.3454	0.3454
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Giardia lamblia	Cathepsin L-like protease	0.0268	0.0818	0.2234
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0001	0.0003
Leishmania major	cathepsin L-like protease	0.107	0.3454	0.9442
Giardia lamblia	Cathepsin L precursor	0.0268	0.0818	0.2234
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0593	0.1887	0.1887
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0001	0.0003
Entamoeba histolytica	cysteine protease, putative	0.0268	0.0818	0.2366
Entamoeba histolytica	cysteine proteinase, putative	0.0593	0.1887	0.5461
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0593	0.1887	0.5157
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0268	0.0818	0.2234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine proteinase, putative	0.0593	0.1887	0.5461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Brugia malayi	Cathepsin L-like precursor	0.107	0.3454	0.3454
Echinococcus granulosus	cathepsin L cysteine proteinase	0.107	0.3454	0.3454
Echinococcus granulosus	cysteine protease	0.0593	0.1887	0.1887
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0818	0.0818
Onchocerca volvulus	Cathepsin L homolog	0.0268	0.0818	0.2369
Trypanosoma cruzi	cruzipain precursor, putative	0.0325	0.1006	0.1006
Brugia malayi	cathepsin L precursor	0.0268	0.0818	0.0818
Loa Loa (eye worm)	ctsf protein	0.107	0.3454	0.3454
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1133	0.3658	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0593	0.1887	0.5156
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0268	0.0818	0.0818
Schistosoma mansoni	ap endonuclease	0.0019	0.0001	0.0001
Brugia malayi	Cathepsin L-like precursor	0.0745	0.2385	0.2385
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Onchocerca volvulus		0.107	0.3454	1
Trypanosoma cruzi	cysteine peptidase, putative	0.107	0.3454	0.3453
Toxoplasma gondii	cathepsin CPL	0.107	0.3454	0.9442
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0268	0.0818	0.2368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Onchocerca volvulus		0.027	0.0824	0.2386
Toxoplasma gondii	exonuclease III APE	0.0019	0.0001	0.0003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0268	0.0818	0.2234
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0268	0.0818	0.0818
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0268	0.0818	0.2234
Schistosoma mansoni	cathepsin F (C01 family)	0.107	0.3454	0.3454
Entamoeba histolytica	cysteine protease, putative	0.0593	0.1887	0.5461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0268	0.0818	0.2234
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Trichomonas vaginalis	conserved hypothetical protein	0.0268	0.0818	0.2234
Plasmodium vivax	unspecified product	0.0325	0.1006	0.2913
Trypanosoma cruzi	cysteine proteinase, putative	0.0593	0.1887	0.1886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.107	0.3454	0.9442
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.107	0.3454	0.3454
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.107	0.3454	0.9441
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.107	0.3454	0.3454
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0001	0.0003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0268	0.0818	0.2234
Onchocerca volvulus		0.107	0.3454	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.107	0.3454	0.9441

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	50 uM	PUBCHEM_BIOASSAY: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID782]	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	13.1154 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)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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

ChEMBL: CHEMBL1564362

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 1405937