TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 720.81 | Formula: C41H44N4O8
H donors: 2 H acceptors: 6 LogP: 4.22 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)CCC1=C(C)C2=N/C/1=C(/C)\c1[nH]c(c(c1C(=O)OC)C)/C=C/1\N=C(/C=C/3\N/C(=C\2)/[C@]2(C)[C@H](C(=O)OC)C(=CC=C32)C(=O)OC)C(=C1CC)C
InChi: 1S/C41H44N4O8/c1-11-23-19(2)27-17-31-26-14-12-25(38(47)51-8)35(40(49)53-10)41(26,6)32(43-31)18-29-20(3)24(13-15-33(46)50-7)36(44-29)22(5)37-34(39(48)52-9)21(4)28(45-37)16-30(23)42-27/h12,14,16-18,35,43,45H,11,13,15H2,1-10H3/b30-16-,31-17-,32-18-,36-22-/t35-,41+/m0/s1
InChiKey: AZJPKOKMYDZMHV-DCQOHXIDSA-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

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
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0221	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0008	0.0007	0.0002
Loa Loa (eye worm)	acetylcholinesterase 1	0.0497	0.3352	0.3349
Loa Loa (eye worm)	TK protein kinase	0.0031	0.0163	0.0157
Schistosoma mansoni	acetylcholinesterase	0.0084	0.0528	0.1004
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0135	0.5981
Schistosoma mansoni	ferritin	0.0009	0.0019	0.0025
Onchocerca volvulus		0.0084	0.0528	0.0522
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0084	0.0528	0.1004
Echinococcus granulosus	para nitrobenzyl esterase	0.0084	0.0528	0.1004
Loa Loa (eye worm)	carboxylesterase	0.0084	0.0528	0.0523
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.0848	0.0843
Loa Loa (eye worm)	tyrosinase 1	0.009	0.0572	0.0567
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0084	0.0528	1
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0025	0.0038
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0139
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0025	0.0407
Schistosoma mansoni	ferritin light chain	0.0009	0.0019	0.0025
Schistosoma mansoni	ferritin light chain	0.0009	0.0019	0.0025
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0025	0.0838
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0025	0.0038
Schistosoma mansoni	hypothetical protein	0.0018	0.0075	0.0132
Loa Loa (eye worm)	ShTK domain-containing protein	0.009	0.0572	0.0567
Echinococcus multilocularis	acetylcholinesterase	0.0497	0.3352	0.6428
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0007	0.0139
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0303	0.0571
Entamoeba histolytica	transcription factor BTF3, putative	0.0039	0.0221	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0075	0.0132
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0009	0.0013	0.0014
Echinococcus granulosus	tyrosine kinase	0.0034	0.0189	0.0352
Onchocerca volvulus		0.0084	0.0528	0.0522
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Onchocerca volvulus		0.009	0.0572	0.0565
Schistosoma mansoni	apoferritin-2	0.0009	0.0019	0.0025
Loa Loa (eye worm)	RNA binding protein	0.0131	0.0848	0.0843
Echinococcus granulosus	expressed protein	0.0009	0.0019	0.0025
Entamoeba histolytica	protein kinase, putative	0.0031	0.0163	0.7291
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0075	0.0132
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0008	0.0007	0.0002
Echinococcus granulosus	nibrin	0.001	0.0025	0.0038
Schistosoma mansoni	tyrosine kinase	0.0009	0.0013	0.0014
Onchocerca volvulus		0.0012	0.0033	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0221	0.4133
Onchocerca volvulus	Phospholipase A2 homolog	0.147	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Schistosoma mansoni	hypothetical protein	0.0018	0.0075	0.0132
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0009	0.0013	0.0014
Schistosoma mansoni	acetyl-CoA synthetase	0.0008	0.0007	0.0003
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.0572	0.0567
Loa Loa (eye worm)	oxidoreductase	0.0008	0.0007	0.0002
Mycobacterium ulcerans	bacterioferritin BfrA	0.0009	0.0019	0.0222
Brugia malayi	TAR-binding protein	0.0131	0.0848	0.0843
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0025	0.0407
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0135	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0075	0.0132
Trichomonas vaginalis	spcc417.12 protein, putative	0.0084	0.0528	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0034	0.0189	0.0352
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0135	0.2449
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0221	1
Schistosoma mansoni	ferritin	0.0009	0.0019	0.0025
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0135	0.5981
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0025	0.0838
Loa Loa (eye worm)	SRC-1	0.0038	0.0214	0.0209
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0009	0.0013	0.0014
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0007	0.0066
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Echinococcus granulosus	acetylcholinesterase	0.0497	0.3352	0.6428
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0075	0.0069
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0082	0.155
Schistosoma mansoni	cpg binding protein	0.0034	0.0186	0.0346
Onchocerca volvulus		0.009	0.0572	0.0565
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0139
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0135	0.0129
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0848	0.1618
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0038	0.0214	0.0401
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0334	0.0329
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0009	0.0019	0.0358
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0135	0.5981
Schistosoma mansoni	hypothetical protein	0.0189	0.1245	0.2381
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0009	0.0019	0.0906
Onchocerca volvulus		0.0026	0.0135	0.0128
Onchocerca volvulus		0.009	0.0572	0.0565
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0025	0.0495
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0021	0.0016
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0084	0.0528	1
Schistosoma mansoni	hypothetical protein	0.0456	0.3071	0.5887
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.0418	0.0793
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0007	0.0139
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0031	0.0163	0.0302
Entamoeba histolytica	hypothetical protein	0.001	0.0025	0.0838
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0034	0.0189	0.0352
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0084	0.0528	0.1004
Schistosoma mansoni	tyrosine kinase	0.0038	0.0214	0.0401
Echinococcus granulosus	acetylcholinesterase	0.0497	0.3352	0.6428
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0007	0.0139
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0135	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0135	0.2449
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0084	0.0528	0.1004
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0139
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Echinococcus multilocularis	dnaJ subfamily B	0.0456	0.3071	0.5887
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0033	0.0182	0.0338
Echinococcus multilocularis	geminin	0.0189	0.1245	0.2381
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0084	0.0528	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0034	0.0189	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0075	0.0069
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.0572	0.0567
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0025	0.0407
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.0848	0.1618
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0025	0.002
Echinococcus multilocularis	ferritin	0.0009	0.0019	0.0025
Brugia malayi	beta-NAC-like protein	0.0039	0.0221	0.0215
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0075	0.0069
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0038	0.0214	0.0401
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0025	1
Schistosoma mansoni	gliotactin	0.0084	0.0528	0.1004
Schistosoma mansoni	BC026374 protein (S09 family)	0.0084	0.0528	0.1004
Brugia malayi	hypothetical protein	0.0266	0.177	0.1766
Brugia malayi	Carboxylesterase family protein	0.0084	0.0528	0.0523
Brugia malayi	hypothetical protein	0.001	0.0025	0.002
Brugia malayi	DKFZp564C0469 protein	0.001	0.0025	0.002
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0135	0.2449
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0025	0.0838
Echinococcus multilocularis	neuroligin	0.0084	0.0528	0.1004
Brugia malayi	Carboxylesterase family protein	0.0084	0.0528	0.0523
Echinococcus granulosus	tyrosine protein kinase HCK	0.0031	0.0163	0.0302
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.0572	0.0567
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0025	0.0838
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0303	0.0571
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0082	0.155
Brugia malayi	topoisomerase	0.001	0.0025	0.002
Schistosoma mansoni	apoferritin-2	0.0009	0.0019	0.0025
Brugia malayi	Carboxylesterase family protein	0.0497	0.3352	0.3349
Loa Loa (eye worm)	hypothetical protein	0.0644	0.4354	0.4351
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0031
Schistosoma mansoni	topbp1	0.001	0.0025	0.0038
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0007	0.0139
Loa Loa (eye worm)	hypothetical protein	0.002	0.0089	0.0084
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0214	0.0208
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0025	0.0407
Schistosoma mansoni	tyrosine kinase	0.0009	0.0013	0.0014
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0025	0.0407
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0025	0.0838
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0038	0.0214	0.0401
Echinococcus granulosus	ferritin	0.0009	0.0019	0.0025
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0848	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0038	0.0214	0.0401
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0848	0.1618
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0221	0.0413
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0009	0.0019	0.0358
Loa Loa (eye worm)	hypothetical protein	0.002	0.0089	0.0084
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0025	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0009	0.0013	0.0014
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0025	0.0343
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0173	0.0168
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0025	0.1401
Brugia malayi	Common central domain of tyrosinase family protein	0.009	0.0572	0.0567
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0033	0.0182	0.0338
Onchocerca volvulus		0.0084	0.0528	0.0522
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0008	0.0007	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Brugia malayi	RNA binding protein	0.0131	0.0848	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0497	0.3352	0.3349
Loa Loa (eye worm)	hypothetical protein	0.002	0.0089	0.0084
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Schistosoma mansoni	hypothetical protein	0.0189	0.1245	0.2381
Echinococcus multilocularis	nibrin	0.001	0.0025	0.0038
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0084	0.0528	0.1004
Onchocerca volvulus	Phospholipase A2 homolog	0.0644	0.4354	0.435
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0334	0.0329
Echinococcus granulosus	BC026374 protein S09 family	0.0084	0.0528	0.1004
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0038	0.0214	0.0401
Brugia malayi	Tyrosine-protein kinase abl-1	0.0009	0.0013	0.0007
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0025	0.0407
Loa Loa (eye worm)	TK protein kinase	0.0034	0.0189	0.0183
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.009	0.0572	0.0567
Schistosoma mansoni	topbp1	0.001	0.0025	0.0038
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0303	0.0571
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0303	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0303	0.0571
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0034	0.0189	0.0352
Echinococcus granulosus	transcription factor btf3	0.0039	0.0221	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0135	0.0129
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0075	0.0132
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0025	0.0038
Loa Loa (eye worm)	hypothetical protein	0.002	0.0089	0.0084
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0007	0.0139
Loa Loa (eye worm)	carboxylesterase	0.0497	0.3352	0.3349
Brugia malayi	Carboxylesterase family protein	0.0497	0.3352	0.3349
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0007	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0135	0.0129
Loa Loa (eye worm)	hypothetical protein	0.002	0.0089	0.0084
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0084	0.0528	0.1004
Schistosoma mansoni	cpg binding protein	0.0032	0.0173	0.0322
Schistosoma mansoni	microtubule-associated protein tau	0.0769	0.5212	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0135	0.2449
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0034	0.0189	0.0352
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0303	0.0571
Schistosoma mansoni	hypothetical protein	0.0018	0.0075	0.0132
Trichomonas vaginalis	ferritin, putative	0.0009	0.0019	0.0286
Brugia malayi	Carboxylesterase family protein	0.0084	0.0528	0.0523
Echinococcus granulosus	GPCR family 2	0.0018	0.0075	0.0132
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0007	0.0002
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0022	0.0016
Schistosoma mansoni	tyrosinase precursor	0.009	0.0572	0.1088
Loa Loa (eye worm)	hypothetical protein	0.001	0.0025	0.002
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0135	0.0129
Schistosoma mansoni	tyrosine kinase	0.0038	0.0214	0.0401
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0009	0.0013	0.0014
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0025	0.0407
Schistosoma mansoni	hypothetical protein	0.0038	0.0214	0.04
Brugia malayi	hypothetical protein	0.0084	0.0528	0.0523
Echinococcus granulosus	geminin	0.0189	0.1245	0.2381
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0025	0.0838
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0025	0.0407
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0135	0.5981
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Onchocerca volvulus		0.0032	0.0173	0.0166
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0221	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0221	1
Echinococcus multilocularis	microtubule associated protein 2	0.0769	0.5212	1
Brugia malayi	Carboxylesterase family protein	0.0084	0.0528	0.0523
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0135	0.5981
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Treponema pallidum	DNA ligase (lig)	0.001	0.0025	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0007	0.0066
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0497	0.3352	0.6428
Loa Loa (eye worm)	hypothetical protein	0.0497	0.3352	0.3349
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0221	0.5902
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0009	0.0006
Onchocerca volvulus		0.009	0.0572	0.0565
Brugia malayi	ShTK domain containing protein	0.009	0.0572	0.0567
Schistosoma mansoni	ferritin	0.0009	0.0019	0.0025
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0009	0.0006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0334	0.0329
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0135	0.2449
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0089	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0089	0.384
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0135	0.2449
Echinococcus multilocularis	carboxylesterase 5A	0.0497	0.3352	0.6428
Onchocerca volvulus	Huntingtin homolog	0.0266	0.177	0.1764
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0334	0.0329
Loa Loa (eye worm)	hypothetical protein	0.147	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0173	0.0168
Echinococcus granulosus	dnaJ subfamily B	0.0456	0.3071	0.5887
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0025	0.002
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0214	0.0208
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0089	0.384
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0038	0.0214	0.0401
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0075	0.0069
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0089	0.169
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0528	0.0523
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0038	0.0214	0.0401
Echinococcus granulosus	neuroligin	0.0084	0.0528	0.1004
Echinococcus granulosus	microtubule associated protein 2	0.0769	0.5212	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0135	0.0129
Brugia malayi	SRC-1	0.0038	0.0214	0.0209
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0075	0.0132
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0135	0.2449
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.0848	0.0843
Echinococcus multilocularis	expressed protein	0.0009	0.0019	0.0025
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0221	0.0215
Mycobacterium ulcerans	bacterioferritin BfrB	0.0009	0.0019	0.0222
Echinococcus multilocularis	acetylcholinesterase	0.0497	0.3352	0.6428
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0135	0.5981
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0038	0.0214	0.0401
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.0848	0.0843
Schistosoma mansoni	transcription factor btf3	0.0039	0.0221	0.0413
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0084	0.0528	1
Echinococcus granulosus	c src tyrosine kinase	0.0009	0.0013	0.0014
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0038	0.0214	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0007	0.0002
Loa Loa (eye worm)	hypothetical protein	0.009	0.0572	0.0567
Brugia malayi	hypothetical protein	0.001	0.0025	0.002
Schistosoma mansoni	cpg binding protein	0.0034	0.0186	0.0346
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0084	0.0528	0.1004
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0135	0.2554
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0006
Schistosoma mansoni	tyrosinase precursor	0.009	0.0572	0.1088
Echinococcus granulosus	tar DNA binding protein	0.0131	0.0848	0.1618
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0221	0.4133
Onchocerca volvulus		0.0084	0.0528	0.0522
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0369	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0221	1
Loa Loa (eye worm)	hypothetical protein	0.0266	0.177	0.1766
Loa Loa (eye worm)	ShTK domain-containing protein	0.009	0.0572	0.0567
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0007	0.0139
Schistosoma mansoni	ferritin	0.0009	0.0019	0.0025
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0038	0.0214	0.0401
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0135	0.2554
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0025	0.0407
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0031
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0025	0.0838
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0025	0.0495
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0008	0.0007	0.0003
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0082	0.155
Brugia malayi	AMP-binding enzyme family protein	0.0008	0.0007	0.0002
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0075	0.0132
Echinococcus multilocularis	para nitrobenzyl esterase	0.0084	0.0528	0.1004
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0303	0.0571
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0303	0.0297
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0009	0.0006
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0221	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0848	0.1618
Echinococcus multilocularis	cpg binding protein	0.0034	0.0186	0.0346
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0025	0.0407
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0135	0.2449
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0089	0.1572
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0082	0.155
Mycobacterium ulcerans	carboxylesterase, LipT	0.0084	0.0528	1
Echinococcus granulosus	carboxylesterase 5A	0.0497	0.3352	0.6428
Loa Loa (eye worm)	carboxylesterase	0.0084	0.0528	0.0523
Onchocerca volvulus		0.0084	0.0528	0.0522
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0038	0.0214	0.0401
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0135	0.0129
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0038	0.0214	0.0401
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0025	0.0838
Brugia malayi	protein-tyrosine kinase	0.0034	0.0189	0.0183
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0303	0.0571
Onchocerca volvulus	Huntingtin homolog	0.0266	0.177	0.1764
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0084	0.0528	0.1004
Echinococcus granulosus	cpg binding protein	0.0034	0.0186	0.0346
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0221	0.4133
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0848	0.1618
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0221	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0572	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0266	0.177	0.1766
Onchocerca volvulus		0.001	0.0025	0.0018
Schistosoma mansoni	DNA ligase IV	0.001	0.0025	0.0038

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	> 92 %	Cytotoxicity against human BEL7402 cells assessed as photo-induced growth inhibition upto 2.5 ug/mL after 24 hrs in dark by MTT assay	ChEMBL.	18006309
Activity (functional)	> 92 %	Cytotoxicity against human BEL7402 cells assessed as photo-induced growth inhibition upto 2.5 ug/mL after 24 hrs in dark by MTT assay	ChEMBL.	18006309
IC50 (functional)	= 0.47 ug ml-1	Cytotoxicity against human BEL7402 cells assessed as photo-induced growth inhibition after 24 hrs in dark by MTT assay	ChEMBL.	18006309
IC50 (functional)	= 0.47 ug ml-1	Cytotoxicity against human BEL7402 cells assessed as photo-induced growth inhibition after 24 hrs in dark by MTT assay	ChEMBL.	18006309

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18006309

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 521529