TDR Targets

Basic information

Technical information

TDR Targets ID: 1433914
Name: azepan-1-yl-[1-[[3-methyl-5-[(E)-2-(3-methylp henyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piper idin-4-yl]methanone
MW: 471.612 | Formula: C25H33N3O4S
H donors: 0 H acceptors: 4 LogP: 3.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)/C=C/c1onc(c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCCCCC1)C
InChi: 1S/C25H33N3O4S/c1-19-8-7-9-21(18-19)10-11-23-24(20(2)26-32-23)33(30,31)28-16-12-22(13-17-28)25(29)27-14-5-3-4-6-15-27/h7-11,18,22H,3-6,12-17H2,1-2H3/b11-10+
InChiKey: HOUMBXXWEDRLCV-ZHACJKMWSA-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

azepan-1-yl-[1-[3-methyl-5-[(E)-2-(3-methylphenyl)vinyl]isoxazol-4-yl]sulfonyl-4-piperidyl]methanone
1-azepanyl-[1-[[3-methyl-5-[(E)-2-(3-methylphenyl)vinyl]-4-isoxazolyl]sulfonyl]-4-piperidinyl]methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0409	1
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.005	0.0409	0.1453
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0098	0.035
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0283	0.2812	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0098	0.0078
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0129	1
Mycobacterium ulcerans	amidase	0.005	0.0409	0.1453
Brugia malayi	MH2 domain containing protein	0.0133	0.1269	0.2939
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0283	0.2812	1
Mycobacterium ulcerans	amidase	0.005	0.0409	0.1453
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0343	0.0343
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0283	0.2812	1
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0319	0.0618
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0167	0.0368
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.005	0.0409	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0167	0.0247
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0167	0.0595
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0283	0.2812	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0129	0.0458
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0167	0.0595
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0167	0.0368
Plasmodium falciparum	esterase, putative	0.0283	0.2812	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0087	0.031
Echinococcus granulosus	abhydrolase domain containing 3	0.0017	0.0066	0.0159
Echinococcus granulosus	GPCR family 2	0.0019	0.0091	0.0219
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0066	0.0236
Loa Loa (eye worm)	hypothetical protein	0.002	0.0098	0.0078
Mycobacterium ulcerans	lysophospholipase	0.0283	0.2812	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0167	0.0247
Schistosoma mansoni	ap endonuclease	0.0023	0.0129	0.031
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0129	0.0227
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0167	0.0595
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0167	0.0595
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0087	0.031
Schistosoma mansoni	ap endonuclease	0.0023	0.0129	0.031
Toxoplasma gondii	exonuclease III APE	0.0023	0.0129	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0129	0.0227
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.005	0.0409	0.0409
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0098	0.0117
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0167	0.0595
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0167	0.0595
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Mycobacterium ulcerans	peptide amidase, GatA	0.005	0.0409	0.1453
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0319	0.0618
Schistosoma mansoni	hypothetical protein	0.0019	0.0091	0.0219
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.1269	0.2939
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0343	0.0824
Brugia malayi	putative amidase	0.005	0.0409	0.0837
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.005	0.0409	0.0409
Trichomonas vaginalis	conserved hypothetical protein	0.0283	0.2812	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0066	0.0236
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.005	0.0409	0.1453
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0066	0.0236
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0129	0.031
Mycobacterium ulcerans	hydrolase	0.0017	0.0066	0.0236
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0129	0.0458
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0129	0.0227
Schistosoma mansoni	hypothetical protein	0.0019	0.0091	0.0219
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0091	0.006
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.005	0.0409	0.1453
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0283	0.2812	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0098	0.0078
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0413	0.4158	0.4158
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0167	0.0247
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0167	0.0595
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0066	0.0236
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0098	0.0935
Entamoeba histolytica	hypothetical protein	0.0043	0.0343	0.1007
Plasmodium vivax	PST-A protein	0.0283	0.2812	1
Brugia malayi	Amidase family protein	0.005	0.0409	0.0837
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0066	0.0236
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0091	0.006
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0066	0.0159
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0409	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0129	0.0458
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0409	0.1247
Mycobacterium ulcerans	amidase	0.005	0.0409	0.1453
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0129	0.315
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0129	0.0227
Trichomonas vaginalis	conserved hypothetical protein	0.0283	0.2812	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0516	0.1098
Loa Loa (eye worm)	amidase	0.005	0.0409	0.0837
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0066	0.0236
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0017	0.0066	0.0066
Trypanosoma brucei	monoglyceride lipase, putative	0.0283	0.2812	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0098	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0017	0.0066	0.0159
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.005	0.0409	0.0983
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0129	0.0227
Schistosoma mansoni	hypothetical protein	0.0041	0.0319	0.0767
Leishmania major	monoglyceride lipase, putative	0.0283	0.2812	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0091	0.0219
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.005	0.0409	0.1453
Schistosoma mansoni	peptidase	0.0017	0.0066	0.0159
Trypanosoma cruzi	amidase, putative	0.005	0.0409	0.1247
Loa Loa (eye worm)	hypothetical protein	0.006	0.0516	0.1098
Trypanosoma cruzi	amidase, putative	0.005	0.0409	0.1247
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.005	0.0409	0.0983
Schistosoma mansoni	fatty-acid amide hydrolase	0.0413	0.4158	1
Brugia malayi	hypothetical protein	0.0043	0.0343	0.0676
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0129	0.0129
Schistosoma mansoni	fatty-acid amide hydrolase	0.005	0.0409	0.0983
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0167	0.0595
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0098	0.035
Schistosoma mansoni	hypothetical protein	0.0019	0.0091	0.0219
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0413	0.4158	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.005	0.0409	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0167	0.0247
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0343	0.0824
Plasmodium falciparum	lysophospholipase, putative	0.0283	0.2812	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.005	0.0409	0.0983
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0129	0.0153
Trypanosoma brucei	monoglyceride lipase, putative	0.0283	0.2812	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0129	0.0153
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0283	0.2812	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.005	0.0409	0.1453
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0066	0.0236
Leishmania major	hypothetical protein, conserved	0.005	0.0409	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0091	0.006
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0129	0.0227
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0098	0.0117
Plasmodium falciparum	lysophospholipase, putative	0.0283	0.2812	1
Onchocerca volvulus		0.0026	0.0167	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0129	0.315
Entamoeba histolytica	hypothetical protein	0.0043	0.0343	0.1007
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0091	0.0219
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0017	0.0066	0.0159
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0091	0.0219
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0283	0.2812	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.0283	0.2812	1
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0167	0.0368
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0283	0.2812	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0017	0.0066	0.0236
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0516	0.1098
Mycobacterium ulcerans	amidase	0.005	0.0409	0.1453
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0167	0.0247
Loa Loa (eye worm)	amidase	0.005	0.0409	0.0837
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0091	0.0091
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.1269	0.2939
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0087	0.031
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0413	0.4158	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0283	0.2812	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0343	0.0824
Plasmodium falciparum	lysophospholipase, putative	0.0283	0.2812	1
Brugia malayi	Amidase family protein	0.005	0.0409	0.0837
Mycobacterium ulcerans	hypothetical protein	0.0283	0.2812	1
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0167	0.0595
Mycobacterium ulcerans	hypothetical protein	0.0017	0.0066	0.0236
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0017	0.0066	0.0236
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.005	0.0409	0.1247
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0516	0.1098
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0066	0.0236
Loa Loa (eye worm)	hypothetical protein	0.002	0.0098	0.0078
Entamoeba histolytica	hypothetical protein	0.0043	0.0343	0.1007
Entamoeba histolytica	hypothetical protein	0.0043	0.0343	0.1007
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0167	0.0595
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0167	0.0368
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0409	0.1453
Schistosoma mansoni	amidase	0.0413	0.4158	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0167	0.0247
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0091	0.0091
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0066	0.0236
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0167	0.0595
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0017	0.0066	0.0159
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0017	0.0066	0.0066
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0091	0.0091
Echinococcus granulosus	Phospholipase carboxylesterase	0.0017	0.0066	0.0159
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0167	0.0368
Mycobacterium ulcerans	hypothetical protein	0.0017	0.0066	0.0236
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0129	0.0458
Trypanosoma cruzi	monoglyceride lipase, putative	0.0283	0.2812	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0129	0.0227
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0167	0.0595
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0091	0.006
Mycobacterium ulcerans	amidase	0.005	0.0409	0.1453
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0167	0.0368
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0087	0.031
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.005	0.0409	0.1247
Echinococcus multilocularis	abhydrolase domain containing 3	0.0017	0.0066	0.0066
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0413	0.4158	0.4158
Loa Loa (eye worm)	hypothetical protein	0.0413	0.4158	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.005	0.0409	1
Brugia malayi	amidase	0.0413	0.4158	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1889 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4716 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)	2.8184 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 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)	6.5104 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)	7.3753 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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)	35.4813 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)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1575908

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1433914