TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485 | Formula: C19H23ClN5O4S2-
H donors: 1 H acceptors: 5 LogP: 2.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(S(=O)(=O)c1ccc(cc1)NS(=O)(=O)C)CCN1CCn2c1nc1c2cccc1.[Cl-]
InChi: 1S/C19H23N5O4S2.ClH/c1-22(30(27,28)16-9-7-15(8-10-16)21-29(2,25)26)11-12-23-13-14-24-18-6-4-3-5-17(18)20-19(23)24;/h3-10,21H,11-14H2,1-2H3;1H/p-1
InChiKey: XDPXNJKMOUIVHC-UHFFFAOYSA-M

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	0.4828
Brugia malayi	Flap endonuclease-1	0.0029	0.0144	0.0009
Toxoplasma gondii	hypothetical protein	0.0058	0.0563	0.207
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0293	0.037
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0284	0.384	0.9154
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0	0.0001
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0284	0.384	0.9154
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0562	0.2064
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0044	0.0352	0.0246
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0339	0.465	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0309	0.0409
Plasmodium falciparum	acyl-CoA synthetase	0.0111	0.1329	0.585
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0293	0.037
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0044	0.0352	0.1025
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0169	0.217	0.217
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0044	0.0352	0.015
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0352	0.0523
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0284	0.384	0.9183
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0044	0.0352	0.015
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0048	0.0114
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0044	0.0352	0.015
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0352	0.0246
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0044	0.0352	0.0352
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0412	0.0595
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0668	0.1598
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0213	0.051
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0352	0.0841
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0044	0.0352	0.1025
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0352	0.0515
Toxoplasma gondii	ABC1 family protein	0.004	0.0293	0.0737
Entamoeba histolytica	hypothetical protein	0.0039	0.0285	0.0383
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0668	0.0668
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.1282	0.3067
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0148	0.1874	0.4682
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0111	0.1326	0.297
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0293	0.0083
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2008	0.2008
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0352	0.0523
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0111	0.1326	0.1326
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.0695	0.0695
Onchocerca volvulus		0.0148	0.1874	0.4681
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.0695	0.0695
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0309	0.0309
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0213	0.0213
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0148	0.1874	0.4682
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0352	0.0841
Echinococcus multilocularis	flap endonuclease 1	0.0029	0.0144	0.0144
Entamoeba histolytica	hypothetical protein	0.0039	0.0285	0.0383
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0309	0.0366
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0044	0.0352	0.0352
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0621	0.0621
Leishmania major	4-coumarate:coa ligase-like protein	0.0148	0.1874	0.3841
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0148	0.1874	0.4066
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.0309	0.0366
Trypanosoma brucei	glucosidase, putative	0.0041	0.0309	0.0366
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0668	0.0668
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Brugia malayi	beta-lactamase	0.004	0.0293	0.0378
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0369	0.0881
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0293	0.0293
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0044	0.0352	0.015
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0058	0.0564	0.0932
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0668	0.1598
Onchocerca volvulus		0.0044	0.0352	0.0562
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0148	0.1874	0.8423
Schistosoma mansoni	hypothetical protein	0.0034	0.0213	0.0213
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	1
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0284	0.384	0.9155
Mycobacterium ulcerans	acyl-CoA synthetase	0.0148	0.1874	0.4066
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.0309	0.0409
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0331	0.0791
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0293	0.0737
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0284	0.384	0.9122
Echinococcus granulosus	cpg binding protein	0.0033	0.0199	0.0199
Mycobacterium tuberculosis	Conserved protein	0.004	0.0293	0.0083
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Echinococcus multilocularis	microtubule associated protein 2	0.0708	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0476	0.0476
Mycobacterium ulcerans	acyl-CoA synthetase	0.0148	0.1874	0.4066
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0044	0.0352	0.015
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0352	0.0461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0476	0.0476
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0309	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1329	0.3179
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1282	0.3067
Trichomonas vaginalis	esterase, putative	0.004	0.0293	0.037
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0169	0.217	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0352	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0423	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1874	0.4482
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0352	0.0515
Onchocerca volvulus		0.0044	0.0352	0.0562
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0044	0.0352	0.0246
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0293	0.0083
Leishmania major	4-coumarate:coa ligase-like protein	0.0148	0.1874	0.3841
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0169	0.217	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.1241	0.2734
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0044	0.0352	0.1025
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0284	0.384	1
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0044	0.0352	0.0311
Schistosoma mansoni	hypothetical protein	0.0034	0.0213	0.0213
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0788	0.1602
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0169	0.217	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0044	0.0352	0.0523
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0352	0.0523
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0293	0.0378
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0103	0.0103
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0103	0.0103
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0044	0.0352	0.0246
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0293	0.0293
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0148	0.1874	0.4066
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.1241	0.2734
Toxoplasma gondii	hypothetical protein	0.0055	0.0514	0.1826
Brugia malayi	hypothetical protein	0.0039	0.0285	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0847	0.2026
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0352	0.0523
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0044	0.0352	0.0246
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0044	0.0352	0.015
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0161	0.2052	0.4236
Schistosoma mansoni	hypothetical protein	0.0039	0.0285	0.0285
Echinococcus granulosus	GPCR family 2	0.0034	0.0213	0.0213
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0293	0.0083
Loa Loa (eye worm)	glutaminase	0.0307	0.4182	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1329	0.3179
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0292	0.0292
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0284	0.384	0.9154
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1329	0.3179
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0213	0.0213
Schistosoma mansoni	hypothetical protein	0.0074	0.0788	0.0788
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0253	0.3389	0.8738
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2008	0.2008
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0103	0.0103
Mycobacterium tuberculosis	Conserved protein	0.004	0.0293	0.0083
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0144	0.0344
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0044	0.0352	0.015
Schistosoma mansoni	glutaminase	0.0307	0.4182	0.4182
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0788	0.1883
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0293	0.0701
Schistosoma mansoni	hypothetical protein	0.0023	0.0048	0.0048
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0044	0.0352	0.0461
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0352	0.0461
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0668	0.1598
Brugia malayi	glutaminase DH11.1	0.0307	0.4182	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0352	0.0461
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0213	0.051
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0058	0.0563	0.1439
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0339	0.465	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0293	0.0331
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0309	0.0447
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0048	0.0412	0.0595
Schistosoma mansoni	bromodomain containing protein	0.0071	0.0753	0.0753
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0352	0.0461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0476	0.0476
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0352	0.0246
Entamoeba histolytica	hypothetical protein	0.0039	0.0285	0.0383
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0668	0.0668
Brugia malayi	Bromodomain containing protein	0.0084	0.094	0.1978
Mycobacterium ulcerans	hypothetical protein	0.0179	0.2316	0.5202
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0293	0.0083
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0148	0.1874	0.4066
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0111	0.1326	0.297
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0044	0.0352	0.0311
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0044	0.0352	0.015
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0309	0.0409
Echinococcus granulosus	flap endonuclease 1	0.0029	0.0144	0.0144
Onchocerca volvulus		0.004	0.0293	0.0404
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0284	0.384	1
Onchocerca volvulus		0.004	0.0293	0.0404
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0044	0.0352	0.0246
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0293	0.0083
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0309	0.0409
Schistosoma mansoni	flap endonuclease-1	0.0026	0.0103	0.0103
Brugia malayi	RNA binding protein	0.0065	0.0668	0.1306
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0044	0.0352	0.0311
Brugia malayi	TAR-binding protein	0.0065	0.0668	0.1306
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0285	0.0285
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0352	0.0461
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0144	0.0009
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0213	0.0213
Loa Loa (eye worm)	beta-lactamase	0.004	0.0293	0.0701
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0293	0.0293
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0293	0.037
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0044	0.0352	0.0562
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0293	0.037
Schistosoma mansoni	cpg binding protein	0.0029	0.0144	0.0144
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0293	0.0083
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0339	0.465	1
Schistosoma mansoni	microtubule-associated protein tau	0.0708	1	1
Echinococcus granulosus	dnaJ subfamily B	0.0417	0.5776	0.5776
Entamoeba histolytica	acyl-coA synthetase, putative	0.0148	0.1874	0.4682
Brugia malayi	beta-lactamase family protein	0.004	0.0293	0.0378
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0044	0.0352	0.015
Mycobacterium ulcerans	glutaminase	0.0307	0.4182	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0285	0.0383
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0213	0.0181
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0058	0.0563	0.207
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.0309	0.0409
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.1282	0.2826
Leishmania major	mitochondrial DNA polymerase beta	0.0339	0.465	1
Leishmania major	hypothetical protein, conserved	0.004	0.0293	0.0331
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0309	0.0409
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0183	0.2379	0.5688
Schistosoma mansoni	hypothetical protein	0.0417	0.5776	0.5776
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	1
Echinococcus granulosus	peptidase Clp S14 family	0.0111	0.1326	0.1326
Echinococcus multilocularis	dnaJ subfamily B	0.0417	0.5776	0.5776
Echinococcus granulosus	lysosomal alpha glucosidase	0.0183	0.2379	0.2379
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0284	0.384	0.9154
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	1
Schistosoma mansoni	zinc finger protein	0.0023	0.0055	0.0055
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0352	0.0461
Onchocerca volvulus		0.0284	0.384	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0284	0.384	1
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0352	0.0461
Schistosoma mansoni	cpg binding protein	0.0033	0.0199	0.0199
Schistosoma mansoni	alpha glucosidase	0.0041	0.0309	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1329	0.3179
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0352	0.0841
Mycobacterium tuberculosis	Conserved protein	0.004	0.0293	0.0083
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0309	0.0417
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.2379	0.2379
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0293	0.0331
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.1282	0.2826
Brugia malayi	beta-lactamase family protein	0.004	0.0293	0.0378
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0309	0.0739
Onchocerca volvulus		0.0054	0.0508	0.0984
Echinococcus granulosus	zinc finger protein	0.0023	0.0055	0.0055
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0292	0.0292
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0309	0.0409
Echinococcus granulosus	tumor protein p63	0.0371	0.511	0.511
Brugia malayi	AMP-binding enzyme family protein	0.0148	0.1874	0.4291
Brugia malayi	AMP-binding enzyme family protein	0.0148	0.1874	0.4291
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0161	0.2052	0.4236
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0668	0.1306
Brugia malayi	Probable ClpP-like protease	0.0169	0.217	0.5023
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0352	0.0841
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0293	0.037
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0048	0.0412	0.0595
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0284	0.384	0.9154
Onchocerca volvulus		0.0044	0.0352	0.0562
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0148	0.1874	0.8423
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0179	0.2316	0.5738
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0213	0.0181
Brugia malayi	AMP-binding enzyme family protein	0.0148	0.1874	0.4291
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0476	0.0476
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0169	0.217	0.217
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0284	0.384	0.9154
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0352	0.0246
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0293	0.0293
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0161	0.2052	0.4236
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0169	0.217	0.519
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1874	0.4482
Schistosoma mansoni	hypothetical protein	0.0034	0.0213	0.0213
Onchocerca volvulus		0.0106	0.1257	0.3012
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0111	0.1326	0.55
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0476	0.0476
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0309	0.0366
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0169	0.217	1
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0352	0.0523
Brugia malayi	Bromodomain containing protein	0.0042	0.033	0.0469
Trichomonas vaginalis	glutaminase, putative	0.0307	0.4182	1
Toxoplasma gondii	propionate-CoA ligase	0.0044	0.0352	0.1025
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0044	0.0352	0.0246
Echinococcus multilocularis	tumor protein p63	0.0371	0.511	0.511
Leishmania major	4-coumarate:coa ligase-like protein	0.0148	0.1874	0.3841
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0169	0.217	0.4828
Echinococcus multilocularis	cpg binding protein	0.0033	0.0199	0.0199
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0309	0.0309
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0309	0.0409
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0183	0.2379	0.5538
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.0508	0.0508
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.1241	0.2734
Loa Loa (eye worm)	flap endonuclease-1	0.0029	0.0144	0.0344
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0476	0.0831
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0352	0.0461
Loa Loa (eye worm)	hypothetical protein	0.004	0.0293	0.0701
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0058	0.0563	0.207
Loa Loa (eye worm)	glutaminase 2	0.0307	0.4182	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.2379	0.2379
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1329	0.3179
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0293	0.0331
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0352	0.015
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0508	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1874	0.4482
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0668	0.0668
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0309	0.0409
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0293	0.0083
Onchocerca volvulus		0.0044	0.0352	0.0562
Schistosoma mansoni	cpg binding protein	0.0033	0.0199	0.0199
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0476	0.1139
Schistosoma mansoni	acetyl-CoA synthetase	0.0044	0.0352	0.0352
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0476	0.0476
Mycobacterium ulcerans	hypothetical protein	0.0148	0.1874	0.4066
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0213	0.0213
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0668	0.0668
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0044	0.0352	0.0246
Echinococcus multilocularis	zinc finger protein	0.0023	0.0055	0.0055
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0148	0.1874	0.4503
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0213	0.0213
Onchocerca volvulus		0.004	0.0293	0.0404
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0111	0.1329	0.298
Plasmodium vivax	acyl-CoA synthetase, putative	0.0111	0.1329	0.585
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0148	0.1874	0.4066
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0111	0.1329	0.2665
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.0309	0.0815
Schistosoma mansoni	hypothetical protein	0.0034	0.0213	0.0213
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.1241	0.2734
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0352	0.0841
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0148	0.1874	0.4503
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0044	0.0352	0.1025
Schistosoma mansoni	peptidase Clp (S14 family)	0.0169	0.217	0.217
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0284	0.384	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0148	0.1874	0.4066
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0412	0.0595
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0476	0.0476

Activities

Activity type	Activity value	Assay description	Source	Reference
APD60 (functional)	= 16	Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 300 ms,repolarization time to -60 mV	ChEMBL.	1542097
APD60 (functional)	= 30	Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 1000 ms,repolarization time to -60 mV	ChEMBL.	1542097
APD60 (functional)	= 110	Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 1000 ms,repolarization time to -60 mV,at a concentration of 0.3 uM	ChEMBL.	1542097
Change (functional)	= -24 %	Heart rate, after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= -15 %	Heart rate, after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Change (functional)	= -9 %	Mean arterial pressure,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Change (functional)	= -8 %	Mean arterial pressure,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= -5 %	Ventricular conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= -2 %	Ventricular conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Change (functional)	= 3 %	Atrial conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= 6 %	Atrial conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Change (functional)	= 18 %	Ventricular effective refractory period,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Change (functional)	= 19 %	Ventricular effective refractory period,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= 66 %	Atrial effective refractory period ,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg	ChEMBL.	1542097
Change (functional)	= 84 %	Atrial effective refractory period ,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg	ChEMBL.	1542097
Vmax (ADMET)	= -12	Maximum rate of depolarization of the upstroke of the action potential	ChEMBL.	1542097
Vmax (ADMET)	= -5	Maximum rate of depolarization of the upstroke of the action potential	ChEMBL.	1542097
Vmax (ADMET)	= -4	Maximum rate of depolarization of the upstroke of the action potential	ChEMBL.	1542097

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: 369729

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 277752