TDR Targets

Basic information

Technical information

TDR Targets ID: 1358783
Name: N-(phenylmethylcarbamothioyl)benzamide
MW: 270.349 | Formula: C15H14N2OS
H donors: 2 H acceptors: 1 LogP: 3.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(NC(=O)c1ccccc1)NCc1ccccc1
InChi: 1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19)
InChiKey: GKQAXDYFHYRLSD-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

N-[(phenylmethylamino)-thioxomethyl]benzamide
N-(benzylthiocarbamoyl)benzamide
4921-91-9
MLS000676251
ZINC00081425
N-[(benzylamino)carbonothioyl]benzamide
SMR000271982
NSC118974
STK133694

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0041	0.0486	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2853	0.2853
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0036	0.0394	0.0922
Echinococcus granulosus	nuclear receptor nhr 48	0.0036	0.0394	0.1254
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0394	0.1254
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0486	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0218	0.1818
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0714	0.2272
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.1198	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0036	0.0394	0.1254
Schistosoma mansoni	coup transcription factor	0.0076	0.1067	0.2498
Loa Loa (eye worm)	RNA binding protein	0.02	0.3142	0.3142
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0486	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0076	0.1067	0.1809
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0036	0.0394	0.1254
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0014	0.0027	0.0546
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0076	0.1067	0.1809
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.1198	1
Loa Loa (eye worm)	steroid hormone receptor	0.0076	0.1067	0.1067
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0041	0.0486	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Echinococcus granulosus	slit 2 protein	0.0029	0.0282	0.0898
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0115	0.1725	0.5489
Echinococcus granulosus	tar DNA binding protein	0.02	0.3142	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0486	0.1138
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0364	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0.0364	0.7488
Schistosoma mansoni	nuclear receptor	0.0036	0.0394	0.0922
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.1198	0.3813
Onchocerca volvulus		0.0076	0.1067	0.1067
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0714	0.2272
Loa Loa (eye worm)	hypothetical protein	0.004	0.0466	0.0466
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0364	0.5898	1
Schistosoma mansoni	tar DNA-binding protein	0.02	0.3142	0.7358
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0041	0.0486	0.2268
Schistosoma mansoni	glutaminase	0.0267	0.427	1
Brugia malayi	hypothetical protein	0.0041	0.0486	0.0824
Schistosoma mansoni	hypothetical protein	0.0115	0.1725	0.4039
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0036	0.0394	0.0668
Brugia malayi	hypothetical protein	0.0025	0.0218	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0076	0.1067	0.1809
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0394	0.1254
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0076	0.1067	0.1067
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	1
Brugia malayi	hypothetical protein	0.004	0.0466	0.079
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0036	0.0394	0.1254
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0017	0.0072	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0076	0.1067	0.1809
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0719	0.1684
Echinococcus granulosus	nibrin	0.0041	0.0486	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0282	0.0282
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0076	0.1067	0.1067
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0127	0.0127
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0076	0.1067	0.3396
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0033	0.0354	0.0354
Echinococcus granulosus	FTZ F1 alpha	0.0076	0.1067	0.3396
Brugia malayi	Nuclear hormone receptor E75	0.0036	0.0394	0.0668
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0218	0.1818
Brugia malayi	Nuclear hormone receptor-like 1	0.0076	0.1067	0.1809
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.221	0.221
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0036	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0076	0.1067	0.1809
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0115	0.1725	0.5489
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0036	0.0394	0.0668
Brugia malayi	nuclear hormone receptor	0.0076	0.1067	0.1809
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0017	0.0072	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0041	0.0486	0.4056
Brugia malayi	Pax transcription activation domain interacting protein	0.0041	0.0486	0.0824
Schistosoma mansoni	hypothetical protein	0.0115	0.1725	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Schistosoma mansoni	tyrosine kinase	0.0017	0.0072	0.0167
Brugia malayi	TAR-binding protein	0.02	0.3142	0.5327
Onchocerca volvulus		0.0036	0.0394	0.0394
Schistosoma mansoni	nuclear hormone receptor	0.0076	0.1067	0.2498
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0218	0.4482
Echinococcus granulosus	replication factor c subunit 1	0.0041	0.0486	0.1547
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.004	0.0466	0.0466
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0714	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1725	0.1725
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	0.1882
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.1198	1
Loa Loa (eye worm)	hypothetical protein	0.0364	0.5898	0.5898
Brugia malayi	hypothetical protein	0.0036	0.0394	0.0668
Brugia malayi	Nuclear hormone receptor-like 1	0.004	0.0466	0.079
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0076	0.1067	0.2498
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0076	0.1067	0.3396
Entamoeba histolytica	protein kinase, putative	0.0014	0.0027	0.0546
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0115	0.1725	0.5489
Onchocerca volvulus		0.0028	0.0256	0.0256
Brugia malayi	EGF-like domain containing protein	0.0029	0.0282	0.0478
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0076	0.1067	0.1809
Brugia malayi	RNA recognition motif domain containing protein	0.02	0.3142	0.5327
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0076	0.1067	0.3396
Onchocerca volvulus	Slit protein homolog	0.0029	0.0282	0.0282
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.004	0.0466	0.1483
Schistosoma mansoni	hypothetical protein	0.0249	0.3966	0.9289
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0076	0.1067	0.3396
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Entamoeba histolytica	hypothetical protein	0.0041	0.0486	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0.0364	0.3037
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0218	0.0218
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.004	0.0466	0.1091
Echinococcus multilocularis	tar DNA binding protein	0.02	0.3142	1
Onchocerca volvulus		0.0036	0.0394	0.0394
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0354	0.0599
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0218	0.1818
Schistosoma mansoni	DNA ligase IV	0.0041	0.0486	0.1138
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0719	0.2289
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0364	0.1158
Echinococcus multilocularis	nibrin	0.0041	0.0486	0.1547
Trypanosoma cruzi	FHA domain containing protein, putative	0.0041	0.0486	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0719	0.2289
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0076	0.1067	0.3396
Loa Loa (eye worm)	glutaminase	0.0267	0.427	0.427
Onchocerca volvulus	Tyrosine kinase homolog	0.0017	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.004	0.0466	0.0466
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0364	0.1158
Schistosoma mansoni	nuclear hormone receptor	0.0036	0.0394	0.0922
Brugia malayi	glutaminase DH11.1	0.0267	0.427	0.724
Echinococcus granulosus	GPCR family 2	0.0115	0.1725	0.5489
Brugia malayi	hypothetical protein	0.0036	0.0394	0.0668
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0115	0.1725	0.5489
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0076	0.1067	0.2498
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0076	0.1067	0.1067
Schistosoma mansoni	nuclear hormone receptor	0.0036	0.0394	0.0922
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0036	0.0394	0.1254
Brugia malayi	Probable ClpP-like protease	0.0084	0.1198	0.2031
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0486	0.1138
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.1198	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0.0364	0.3037
Onchocerca volvulus	Protein ultraspiracle homolog	0.0076	0.1067	0.1067
Echinococcus granulosus	thyroid hormone receptor alpha	0.0036	0.0394	0.1254
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0076	0.1067	0.1809
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0076	0.1067	0.2498
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0364	0.7488
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.004	0.0466	0.1483
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0076	0.1067	0.1809
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Entamoeba histolytica	hypothetical protein	0.0014	0.0027	0.0546
Loa Loa (eye worm)	DR-78	0.0036	0.0394	0.0394
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0076	0.1067	0.3396
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0076	0.1067	0.3396
Treponema pallidum	DNA ligase (lig)	0.0041	0.0486	0.2268
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Entamoeba histolytica	hypothetical protein	0.0014	0.0027	0.0546
Echinococcus granulosus	ecdysone induced protein 78C	0.0076	0.1067	0.3396
Schistosoma mansoni	thyroid hormone receptor	0.0076	0.1067	0.2498
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0076	0.1067	0.3396
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0364	0.3037
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Loa Loa (eye worm)	TK/ROR protein kinase	0.0017	0.0072	0.0072
Brugia malayi	latrophilin 2 splice variant baaae	0.0249	0.3966	0.6725
Loa Loa (eye worm)	TK protein kinase	0.0017	0.0072	0.0072
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0115	0.1725	0.2924
Loa Loa (eye worm)	hypothetical protein	0.004	0.0466	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Schistosoma mansoni	thyroid hormone receptor	0.0076	0.1067	0.2498
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0302	0.486	0.8241
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0714	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Schistosoma mansoni	tar DNA-binding protein	0.02	0.3142	0.7358
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0036	0.0394	0.0394
Toxoplasma gondii	ATPase, AAA family protein	0.0041	0.0486	0.4056
Brugia malayi	RNA binding protein	0.02	0.3142	0.5327
Mycobacterium ulcerans	glutaminase	0.0267	0.427	1
Schistosoma mansoni	topbp1	0.0041	0.0486	0.1138
Brugia malayi	topoisomerase	0.0041	0.0486	0.0824
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0076	0.1067	0.1067
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0076	0.1067	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0486	0.1138
Brugia malayi	Steroid receptor seven-up type 2	0.0076	0.1067	0.1809
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0364	0.5898	0.5898
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0486	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0486	0.1138
Brugia malayi	DKFZp564C0469 protein	0.0041	0.0486	0.0824
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0486	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0034	0.0364	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0076	0.1067	0.2498
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0034	0.0364	0.1158
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0076	0.1067	0.2498
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0364	0.7488
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0076	0.1067	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Brugia malayi	nuclear receptor NHR-88	0.0076	0.1067	0.1809
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0218	0.4482
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0193	0.3036	0.3036
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0076	0.1067	0.3396
Schistosoma mansoni	nuclear receptor nhr-48	0.0036	0.0394	0.0922
Brugia malayi	nuclear receptor NHR-88	0.0036	0.0394	0.0668
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.221	0.221
Onchocerca volvulus		0.0182	0.2853	0.2853
Onchocerca volvulus	Bile acid receptor homolog	0.0076	0.1067	0.1067
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0034	0.0364	0.1158
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0076	0.1067	0.3396
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0076	0.1067	0.1809
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0277	0.2313
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1198	0.1198
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0036	0.0394	0.1254
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0076	0.1067	0.3396
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0486	0.1138
Leishmania major	hypothetical protein, conserved	0.0025	0.0218	0.5986
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0076	0.1067	0.1809
Brugia malayi	hypothetical protein	0.0182	0.2853	0.4837
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0486	0.1138
Brugia malayi	tailless protein	0.0036	0.0394	0.0668
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0036	0.0394	0.0922
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0218	0.1818
Schistosoma mansoni	tar DNA-binding protein	0.02	0.3142	0.7358
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0486
Schistosoma mansoni	topbp1	0.0041	0.0486	0.1138
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0036	0.0394	0.1254
Echinococcus multilocularis	FTZ F1 alpha	0.0076	0.1067	0.3396
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0609	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0466	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Echinococcus multilocularis	nuclear receptor nhr 48	0.0036	0.0394	0.1254
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0017	0.0072	0.0121
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.02	0.3142	0.3142
Brugia malayi	Isocitrate dehydrogenase	0.0034	0.0364	0.0617
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0076	0.1067	0.1809
Brugia malayi	steroid hormone receptor	0.0076	0.1067	0.1809
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0127	0.0216
Schistosoma mansoni	chromosome transmission fidelity factor	0.0041	0.0486	0.1138
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0277	0.2313
Brugia malayi	nuclear receptor RXR	0.0036	0.0394	0.0668
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0719	0.2289
Brugia malayi	nuclear receptor NHR-67	0.0036	0.0394	0.0668
Brugia malayi	nuclear hormone receptor	0.0036	0.0394	0.0668
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0034	0.0364	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0193	0.3036	0.3036
Brugia malayi	ecdysteroid receptor	0.0076	0.1067	0.1809
Echinococcus multilocularis	ecdysone induced protein 78C	0.0076	0.1067	0.3396
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0076	0.1067	0.1809
Schistosoma mansoni	tar DNA-binding protein	0.02	0.3142	0.7358
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0041	0.0486	0.0824
Echinococcus multilocularis	slit 2 protein	0.0029	0.0282	0.0898
Plasmodium falciparum	replication factor C subunit 1, putative	0.0041	0.0486	0.4056
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.004	0.0466	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Echinococcus multilocularis	isocitrate dehydrogenase	0.0034	0.0364	0.1158
Brugia malayi	ecdysone receptor	0.0036	0.0394	0.0668
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0719	0.2289
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0076	0.1067	0.1809
Loa Loa (eye worm)	hypothetical protein	0.0249	0.3966	0.3966
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0486	0.1138
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0076	0.1067	0.2498
Brugia malayi	Nuclear hormone receptor-like 1	0.004	0.0466	0.079
Onchocerca volvulus		0.0041	0.0486	0.0486
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0364	0.1158
Schistosoma mansoni	hypothetical protein	0.0115	0.1725	0.4039
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0719	0.122
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	0.1882
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0036	0.0394	0.1254
Schistosoma mansoni	tar DNA-binding protein	0.02	0.3142	0.7358
Trichomonas vaginalis	glutaminase, putative	0.0267	0.427	1
Brugia malayi	hypothetical protein	0.004	0.0466	0.079
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.1198	0.3813
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Loa Loa (eye worm)	glutaminase 2	0.0267	0.427	0.427
Echinococcus multilocularis	replication factor c subunit 1	0.0041	0.0486	0.1547
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0036	0.0394	0.0394
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0076	0.1067	0.1067
Giardia lamblia	Replication factor C, subunit 1	0.0041	0.0486	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.1198	0.2805
Brugia malayi	orphan nuclear receptor NR2E1	0.0036	0.0394	0.0668
Brugia malayi	nuclear receptor RXR	0.004	0.0466	0.079
Schistosoma mansoni	zinc finger protein	0.0036	0.0394	0.0922
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0076	0.1067	0.3396
Schistosoma mansoni	hypothetical protein	0.0115	0.1725	0.4039
Plasmodium vivax	replication factor C subunit 1, putative	0.0041	0.0486	0.4056
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0.0364	0.7488
Loa Loa (eye worm)	TAR-binding protein	0.02	0.3142	0.3142
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0076	0.1067	0.1809
Brugia malayi	N-terminal motif family protein	0.0193	0.3036	0.5148
Echinococcus multilocularis	GPCR, family 2	0.0115	0.1725	0.5489
Brugia malayi	hypothetical protein	0.0016	0.0067	0.0114
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0364	0.3037
Brugia malayi	nuclear hormone receptor family member odr-7	0.0036	0.0394	0.0668
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0218	0.4482
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0076	0.1067	0.2498
Brugia malayi	Nuclear hormone receptor E75	0.0036	0.0394	0.0668
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0364	0.5898	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0076	0.1067	0.3396
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0115	0.1725	0.1725
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0076	0.1067	0.3396
Schistosoma mansoni	nuclear receptor	0.0036	0.0394	0.0922
Schistosoma mansoni	retinoic acid receptor RXR	0.0076	0.1067	0.2498
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0076	0.1067	0.1067
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0719	0.1684
Loa Loa (eye worm)	hypothetical protein	0.004	0.0466	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0394
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0714	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0036	0.0394	0.0394
Brugia malayi	Latrophilin receptor protein 2	0.0115	0.1725	0.2924
Brugia malayi	MH2 domain containing protein	0.0144	0.221	0.3748
Brugia malayi	conserved hypotetical protein	0.0036	0.0394	0.0668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0076	0.1067	0.1067
Toxoplasma gondii	hypothetical protein	0.0029	0.0277	0.2313
Loa Loa (eye worm)	nuclear hormone receptor	0.0036	0.0394	0.0394
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0486	0.1138
Brugia malayi	isocitrate dehydrogenase	0.0034	0.0364	0.0617
Trichomonas vaginalis	replication factor C large subunit, putative	0.0041	0.0486	0.1138
Entamoeba histolytica	hypothetical protein	0.0014	0.0027	0.0546
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.1198	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0486	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1067	0.1067
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0719	0.1684

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 22.118 uM	PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944]	ChEMBL.	No reference
AC50 (functional)	= 22.118 uM	PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944]	ChEMBL.	No reference
AC50 (functional)	= 22.118 uM	PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944]	ChEMBL.	No reference
Activity (binding)		Activation of HDAC3 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC2 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC2 using Fluor-de-Lys as substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC4 using trifluoroacetyl-lysine containing fluorogenic substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC4 using trifluoroacetyl-lysine containing fluorogenic substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC10 using Fluor-de-Lys as substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC10 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC6 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC3 using Fluor-de-Lys as substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
Activity (binding)		Activation of HDAC6 using Fluor-de-Lys as substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
FC (binding)	= 3.3	Activation of recombinant human HDAC8 assessed as ratio of the initial rate of reaction in the absence and presence of compound using Fluor-de-Lys as substrate at 10 uM by spectrofluorometry	ChEMBL.	21865040
IC50 (binding)	= 27.35 uM	Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method	ChEMBL.	24185379
Inhibition (binding)		Inhibition of HDAC4 using trifluoroacetyl-lysine containing fluorogenic substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Inhibition (binding)		Inhibition of HDAC2 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Inhibition (binding)		Inhibition of HDAC10 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Inhibition (binding)		Inhibition of HDAC6 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Inhibition (binding)		Inhibition of HDAC3 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
Inhibition (binding)	= 5 %	Inhibition of HDAC1 using Fluor-de-Lys as substrate at 100 uM by spectrofluorometry	ChEMBL.	21865040
IZ (functional)		Antifungal activity against Saccharomyces cerevisiae after 24 to 48 hrs by agar well diffusion method	ChEMBL.	24185379
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	22.3872 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)	= 31.6228 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1478462

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1358783