TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1087.62 | Formula: C57H69ClN3O16-
H donors: 4 H acceptors: 10 LogP: 4.62 Rotable bonds: 26
Rule of 5 violations (Lipinski): 2
SMILES: CN(CCCNC(=O)CCCC(=O)OC(C(c1ccccc1)NC(=O)c1ccccc1)C(=O)OC1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@](C(=O)C(C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)C[C@H]1[C@]3(CO1)OC(=O)C)C.[Cl-]
InChi: 1S/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-71-41)76-35(3)62)49(66)46(72-34(2)61)44(33)54(57,4)5;/h9-17,20-25,39-41,45-48,50,63,70H,18-19,26-32H2,1-8H3,(H,58,64)(H,59,67);1H/p-1/t39?,40-,41+,45?,46?,47?,48-,50-,55+,56-,57+;/m0./s1
InChiKey: ZMYCRVJILUQQGH-TZQIWBMJSA-M

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
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0029	0.0002	0.0002
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.016	0.0244	0.0242
Schistosoma mansoni	zinc finger protein	0.0912	0.1638	0.1636
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0029	0.0002	0.0143
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.0035	0.0033
Schistosoma mansoni	egf-like domain protein	0.0054	0.0048	0.0046
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.006	0.0084
Trypanosoma cruzi	GUP1, putative	0.0912	0.1638	0.2301
Echinococcus multilocularis	protein patched	0.0084	0.0104	0.0104
Echinococcus multilocularis	c4b binding protein beta chain	0.0038	0.0018	0.0018
Entamoeba histolytica	vacuolar protein sorting 26	0.0912	0.1638	0.2299
Schistosoma mansoni	sterol O-acyltransferase 1	0.0912	0.1638	0.1636
Giardia lamblia	Kinase, PLK	0.0109	0.0149	0.0171
Schistosoma mansoni	hypothetical protein	0.0081	0.0098	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0048	0.0046
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0085	0.0083
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.5427	1	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0912	0.1638	0.1638
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0029	0.0002	0.0143
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0912	0.1638	0.2299
Plasmodium falciparum	acyl-CoA synthetase	0.0074	0.0085	0.0083
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0131	0.0184
Leishmania major	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0002	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0912	0.1638	0.2301
Brugia malayi	acetyltransferase, GNAT family protein	0.016	0.0244	0.0242
Schistosoma mansoni	hypothetical protein	0.0081	0.0098	0.0096
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0131	0.0129
Plasmodium vivax	acyl-CoA synthetase, putative	0.0074	0.0085	0.0083
Echinococcus multilocularis	Niemann Pick C1 protein	0.0196	0.0311	0.0311
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.3871	0.7117	1
Loa Loa (eye worm)	hypothetical protein	0.4515	0.831	0.831
Loa Loa (eye worm)	MBOAT family protein	0.0912	0.1638	0.1636
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	0.006	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.0035	0.0033
Echinococcus multilocularis	Niemann Pick C1 protein	0.028	0.0466	0.0466
Brugia malayi	MBOAT family protein	0.0912	0.1638	0.1636
Trypanosoma cruzi	GUP1, putative	0.0912	0.1638	0.2301
Echinococcus granulosus	L aminoadipate semialdehyde	0.0095	0.0124	0.0124
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0077	0.5903
Onchocerca volvulus		0.0038	0.0018	0.01
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0099	0.0131	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0002	0.0003
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0029	0.0002	0.0143
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0912	0.1638	0.2301
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0912	0.1638	0.1636
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0002	0.0143
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0912	0.1638	0.1636
Schistosoma mansoni	c4b-binding protein beta chain	0.0038	0.0018	0.0016
Treponema pallidum	alginate O-acetylation protein (algI)	0.0912	0.1638	0.5
Leishmania major	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.3871	0.7117	0.7117
Trypanosoma brucei	protein kinase, putative	0.006	0.006	0.0081
Entamoeba histolytica	DNA repair and recombination protein, putative	0.3871	0.7117	1
Leishmania major	hypothetical protein, conserved	0.0912	0.1638	0.2301
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0099	0.0131	0.0182
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0912	0.1638	0.1638
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0002	0.0143
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0109	0.0149	0.0147
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0074	0.0085	0.6472
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.5427	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0048	0.0046
Entamoeba histolytica	hypothetical protein	0.0072	0.0081	0.0111
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Onchocerca volvulus		0.0038	0.0018	0.01
Loa Loa (eye worm)	hypothetical protein	0.0912	0.1638	0.1636
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0002	0.0003
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0002	0.0003
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0009	0.0007
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.006	0.0058
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0029	0.0002	0.0143
Echinococcus granulosus	C type lectin domian containing protein	0.0038	0.0018	0.0018
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0109	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0029	0.0002	0.0002
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0912	0.1638	0.1638
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0054	0.0048	0.0046
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.5427	1	1
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0054	0.0048	0.0046
Echinococcus granulosus	Niemann Pick C1 protein	0.0196	0.0311	0.0311
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0131	0.0184
Echinococcus granulosus	geminin	0.0166	0.0255	0.0255
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.3871	0.7117	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0038	0.0019	0.0017
Echinococcus granulosus	sterol regulatory element binding protein	0.0084	0.0104	0.0104
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.0185	0.0183
Trypanosoma brucei	glycerol uptake protein, putative	0.0912	0.1638	0.2299
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0038	0.0019	0.0017
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0131	0.0129
Echinococcus granulosus	expressed conserved protein	0.0184	0.0289	0.0289
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.0035	0.0035
Echinococcus granulosus	c4b binding protein beta chain	0.0038	0.0018	0.0018
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Echinococcus multilocularis	sterol O acyltransferase 1	0.0912	0.1638	0.1638
Brugia malayi	MBOAT family protein	0.0912	0.1638	0.1636
Trypanosoma cruzi	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0029	0.0002	0.0143
Leishmania major	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.5427	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Echinococcus granulosus	snurportin 1	0.0352	0.06	0.06
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0912	0.1638	0.1638
Trichomonas vaginalis	conserved hypothetical protein	0.3871	0.7117	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.0035	0.0033
Plasmodium falciparum	importin beta, putative	0.0033	0.0009	0.0007
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0912	0.1638	0.1638
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0074	0.0085	0.6472
Schistosoma mansoni	hypothetical protein	0.3871	0.7117	0.7116
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0085	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Echinococcus multilocularis	expressed conserved protein	0.0184	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0912	0.1638	0.1636
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0081	0.0081
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0029	0.0002	0.0143
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.3871	0.7117	1
Echinococcus granulosus	laminin	0.0054	0.0048	0.0048
Brugia malayi	Importin beta-1 subunit	0.0033	0.0009	0.0007
Schistosoma mansoni	hypothetical protein	0.0072	0.0081	0.0079
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.006	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.0149	0.0147
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0352	0.06	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0081	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0124	0.0122
Onchocerca volvulus		0.0038	0.0018	0.01
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0029	0.0002	0.0143
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0166	0.0255	0.0253
Echinococcus granulosus	Tolloid protein 1	0.007	0.0077	0.0077
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0185	0.0183
Schistosoma mansoni	hypothetical protein	0.0352	0.06	0.0598
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Brugia malayi	Niemann-Pick C1 protein precursor	0.0196	0.0311	0.0309
Echinococcus multilocularis	geminin	0.0166	0.0255	0.0255
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0131	1
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0002	0.0003
Brugia malayi	hypothetical protein	0.0072	0.0081	0.0079
Schistosoma mansoni	patched 1	0.0084	0.0104	0.0102
Loa Loa (eye worm)	acetyltransferase	0.016	0.0244	0.0242
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.3871	0.7117	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0085	0.0083
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	0.006	0.0084
Leishmania major	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0912	0.1638	0.1638
Onchocerca volvulus		0.0038	0.0018	0.01
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0109	0.0149	0.021
Giardia lamblia	Rrm3p helicase	0.3871	0.7117	1
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.3871	0.7117	0.7117
Trichomonas vaginalis	conserved hypothetical protein	0.0912	0.1638	0.2301
Brugia malayi	pregnancy-associated plasma protein-A	0.0038	0.0018	0.0016
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0081	0.0081
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.5427	1	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0002	0.0143
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0155	0.0236	0.0236
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0185	0.0183
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0912	0.1638	0.1638
Loa Loa (eye worm)	MBOAT family protein	0.0912	0.1638	0.1636
Entamoeba histolytica	hypothetical protein, conserved	0.3871	0.7117	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0028	0.0026
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0185	0.0183
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0099	0.0131	1
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.254	0.4652	0.4652
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0912	0.1638	0.1638
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0085	0.0083
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	0.006	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0009	0.0007
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0029	0.0002	0.0143
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0077	0.5903
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	0.006	0.0058
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0029	0.0002	0.0143
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	0.006	0.006
Brugia malayi	MBOAT family protein	0.0912	0.1638	0.1636
Schistosoma mansoni	hypothetical protein	0.0912	0.1638	0.1636
Echinococcus multilocularis	protein dispatched 1	0.0096	0.0126	0.0126
Brugia malayi	CHE-14 protein	0.0084	0.0104	0.0102
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0131	1
Onchocerca volvulus		0.0099	0.0131	0.0791
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0077	0.5903
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0029	0.0002	0.0143
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0131	0.0184
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Loa Loa (eye worm)	hhat protein	0.0912	0.1638	0.1636
Echinococcus multilocularis	mitogen activated protein kinase	0.006	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Onchocerca volvulus	Arrow homolog	0.0054	0.0048	0.028
Trypanosoma cruzi	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0131	1
Leishmania major	hypothetical protein, conserved	0.0243	0.0399	0.056
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0009	0.001
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.006	0.0084
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0912	0.1638	0.2299
Entamoeba histolytica	hypothetical protein	0.0072	0.0081	0.0111
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Onchocerca volvulus		0.0095	0.0124	0.0748
Echinococcus multilocularis	C type lectin domian containing protein	0.0038	0.0018	0.0018
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0048	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0912	0.1638	0.1636
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.5427	1	1
Toxoplasma gondii	rhoptry neck protein RON1	0.0038	0.0018	0.0016
Trichomonas vaginalis	porcupine, putative	0.0912	0.1638	0.2301
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.0035	0.0049
Brugia malayi	Hhat protein	0.0912	0.1638	0.1636
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	0.006	0.0084
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0038	0.0019	0.0017
Onchocerca volvulus		0.0038	0.0018	0.01
Giardia lamblia	Kinase, CMGC MAPK	0.006	0.006	0.0045
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0099	0.0131	0.0182
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.007	0.0077	0.0075
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0109	0.0149	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0147	0.0145
Loa Loa (eye worm)	RNA binding protein	0.0128	0.0185	0.0183
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0029	0.0002	0.0143
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0131	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0185	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0019	0.0017
Schistosoma mansoni	hypothetical protein	0.0166	0.0255	0.0253
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.3871	0.7117	1
Plasmodium falciparum	apical sushi protein	0.0038	0.0018	0.0016
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0028	0.0037
Echinococcus granulosus	Protein patched homolog 1	0.0084	0.0104	0.0104
Schistosoma mansoni	hypothetical protein	0.0081	0.0098	0.0096
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0002	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0131	0.0129
Entamoeba histolytica	hypothetical protein	0.0072	0.0081	0.0111
Trypanosoma cruzi	polo-like protein kinase, putative	0.0109	0.0149	0.021
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0131	1
Brugia malayi	Sushi domain	0.0038	0.0018	0.0016
Onchocerca volvulus		0.0038	0.0018	0.01
Entamoeba histolytica	hypothetical protein, conserved	0.0912	0.1638	0.2299
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0054	0.0048	0.0046
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0054	0.0048	0.0046
Trypanosoma brucei	hypothetical protein, conserved	0.0243	0.0399	0.0558
Echinococcus multilocularis	fibrillin 1	0.0054	0.0048	0.0048
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0912	0.1638	0.1636
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0002	0.0143
Entamoeba histolytica	acyl-coA synthetase, putative	0.0099	0.0131	0.0182
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	0.006	0.0058
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0912	0.1638	0.1636
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0196	0.0311	0.0434
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.5427	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0099	0.0131	1
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0002	0.0003
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.5427	1	1
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0002	0.0003
Brugia malayi	Fibulin-1 precursor	0.0054	0.0048	0.0046
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.007	0.0077	0.0075
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0912	0.1638	0.1638
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0199	0.0316	0.0315
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0095	0.0124	0.0122
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0029	0.0002	0.0143
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0104	0.0146
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0038	0.0019	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0131	0.0129
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0109	0.0149	0.0901
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0095	0.0124	0.0124
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0912	0.1638	0.1638
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0912	0.1638	0.1636
Loa Loa (eye worm)	hhat protein	0.0912	0.1638	0.1636
Loa Loa (eye worm)	hypothetical protein	0.007	0.0077	0.0075
Echinococcus multilocularis	snurportin 1	0.0352	0.06	0.06
Schistosoma mansoni	importin beta-1	0.0033	0.0009	0.0007
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0912	0.1638	0.1638
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.0185	0.0183
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0109	0.0149	0.0149
Trypanosoma cruzi	hypothetical protein, conserved	0.0243	0.0399	0.056
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0085	0.0083
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0099	0.0131	1
Onchocerca volvulus		0.0038	0.0018	0.01
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0912	0.1638	0.1638
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0009	0.001
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.3871	0.7117	1
Echinococcus multilocularis	laminin	0.0054	0.0048	0.0048
Toxoplasma gondii	hypothetical protein	0.0912	0.1638	0.1636
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0048	0.0046
Onchocerca volvulus		0.0912	0.1638	1
Loa Loa (eye worm)	MBOAT family protein	0.0912	0.1638	0.1636
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0077	0.5903
Echinococcus granulosus	mitogen activated protein kinase	0.006	0.006	0.006
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.0038	0.0018	0.0016
Trypanosoma brucei	glycerol uptake protein, putative	0.0912	0.1638	0.2299
Entamoeba histolytica	hypothetical protein	0.0912	0.1638	0.2299
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0029	0.0002	0.0143
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0009	0.0009
Brugia malayi	Calcium binding EGF domain containing protein	0.0054	0.0048	0.0046
Brugia malayi	TAR-binding protein	0.0128	0.0185	0.0183
Brugia malayi	GCC2 and GCC3 family protein	0.0038	0.0018	0.0016
Onchocerca volvulus		0.0038	0.0018	0.01
Brugia malayi	MAP kinase sur-1	0.006	0.006	0.0058
Echinococcus granulosus	sterol O acyltransferase 1	0.0912	0.1638	0.1638
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0009	0.0007
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0131	0.0129
Trypanosoma cruzi	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Brugia malayi	MBOAT family protein	0.0912	0.1638	0.1636
Echinococcus granulosus	tar DNA binding protein	0.0128	0.0185	0.0185
Trichomonas vaginalis	conserved hypothetical protein	0.0912	0.1638	0.2301
Schistosoma mansoni	hypothetical protein	0.0081	0.0098	0.0096
Trypanosoma cruzi	hypothetical protein, conserved	0.0243	0.0399	0.056
Brugia malayi	serine/threonine-protein kinase plk-2	0.0109	0.0149	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0104	0.0102
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.0035	0.0049
Brugia malayi	hypothetical protein	0.0038	0.0018	0.0016
Schistosoma mansoni	kinase	0.0055	0.0051	0.0049
Trypanosoma cruzi	polo-like protein kinase, putative	0.0109	0.0149	0.021
Trypanosoma brucei	polo-like protein kinase	0.0109	0.0149	0.0207
Echinococcus granulosus	Niemann Pick C1 protein	0.028	0.0466	0.0466
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.006	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0016
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.006	0.0084
Brugia malayi	RNA, U transporter 1	0.0094	0.0122	0.012
Loa Loa (eye worm)	hypothetical protein	0.0196	0.0311	0.0309
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0095	0.0124	0.0122
Entamoeba histolytica	hypothetical protein	0.0072	0.0081	0.0111
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Toxoplasma gondii	rhoptry neck protein RON9	0.0038	0.0018	0.0016
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0149	0.021
Brugia malayi	Cytochrome P450 family protein	0.0045	0.0031	0.0029
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0048	0.0068
Loa Loa (eye worm)	cytochrome P450 family protein	0.0045	0.0031	0.0029
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0099	0.0131	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0131	1
Leishmania major	glycerol uptake protein, putative	0.0912	0.1638	0.2301
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	0.006	0.0084
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0054	0.0048	0.0046
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0084	0.0104	0.0102
Brugia malayi	MBOAT family protein	0.0912	0.1638	0.1636
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0002	0.0003
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0029	0.0002	0.0143
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0074	0.0085	0.5
Brugia malayi	RNA binding protein	0.0128	0.0185	0.0183
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0029	0.0002	0.0143
Onchocerca volvulus		0.0038	0.0018	0.01
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0131	0.0129
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.0185	0.0183
Plasmodium vivax	apical sushi protein, putative	0.0038	0.0018	0.0016
Mycobacterium ulcerans	hypothetical protein	0.0099	0.0131	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0912	0.1638	0.2299
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0002	0.0003
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0185	0.0183
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0912	0.1638	0.1636
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.3871	0.7117	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0084	0.0104	0.0104
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0002	0.0143
Onchocerca volvulus		0.0038	0.0018	0.01
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0912	0.1638	0.1636
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0912	0.1638	0.1638
Echinococcus multilocularis	Tolloid protein 1	0.007	0.0077	0.0077
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.006	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0139	0.0137
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.016	0.0244	0.0244
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0912	0.1638	0.1638

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 10	Antitumor activity in B16 Melanoma system animals is indicated by survivors on day 4 at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894
Activity (functional)	= 10	Antitumor activity in B16 Melanoma system animals is indicated by survivors on day 4 at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
Activity (functional)	= 10	Antitumor activity in B16 Melanoma system animals is indicated by survivors on day 4 at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
Activity (functional)	= 10	Antitumor activity in B16 Melanoma system animals is indicated by survivors on day 4 at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
Activity (functional)	= 10	Antitumor activity in B16 Melanoma system animals is indicated by survivors on day 4 at a dose of 1.2 mg/kg intraperitoneally	ChEMBL.	2564894
Survivors at day 4 (functional)	= 0	Antitumor activity in MX-1 mammary xenograft system animals is indicated by survivors on day 4 at a dose of 40 mg/kg intraperitoneally	ChEMBL.	2564894
Survivors at day 4 (functional)	= 0	Antitumor activity in MX-1 mammary xenograft system animals is indicated by survivors on day 4 at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894
Survivors at day 4 (functional)	= 0	Antitumor activity in MX-1 mammary xenograft system animals is indicated by survivors on day 4 at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
Survivors at day 4 (functional)	= 0	Antitumor activity in MX-1 mammary xenograft system animals is indicated by survivors on day 4 at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
Survivors at day 4 (functional)	= 0	Antitumor activity in MX-1 mammary xenograft system animals is indicated by survivors on day 4 at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= -100 %	Percent of median lifetime of test animals with MX-1 mammary xenograft system divided by the median lifetime of control animals at a dose of 40 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= -100 %	Percent of median lifetime of test animals with MX-1 mammary xenograft system divided by the median lifetime of control animals at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 1 %	Percent of median lifetime of test animals with MX-1 mammary xenograft system divided by the median lifetime of control animals at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 1 %	Percent of median lifetime of test animals with MX-1 mammary xenograft system divided by the median lifetime of control animals at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 22 %	Percent of median lifetime of test animals with MX-1 mammary xenograft system divided by the median lifetime of control animals at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 123 %	Percent of median lifetime of test animals divided by the median lifetime of control animals at a dose of 1.25 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 129 %	Percent of median lifetime of test animals divided by the median lifetime of control animals at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 188 %	Percent of median lifetime of test animals divided by the median lifetime of control animals at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 352 %	Percent of median lifetime of test animals divided by the median lifetime of control animals at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894
T/C (functional)	= 352 %	Percent of median lifetime of test animals divided by the median lifetime of control animals at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -0.1 g	Difference in body weight in grams between test and control animals at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -0.1 g	Difference in body weight in grams between test and control animals at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -0.1 g	Difference in body weight in grams between test and control animals at a dose of 1.2 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= 0 g	Difference in body weight in grams between test and control animals at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= 0.1 g	Difference in body weight in grams between test and control animals at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -5.9 T-C	Difference in body weight in grams between test and control animals at a dose of 40 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -2.2 T-C	Difference in body weight in grams between test and control animals at a dose of 10 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= -0.6 T-C	Difference in body weight in grams between test and control animals at a dose of 2.5 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= 0.1 T-C	Difference in body weight in grams between test and control animals at a dose of 5 mg/kg intraperitoneally	ChEMBL.	2564894
Weight difference (functional)	= 0.3 T-C	Difference in body weight in grams between test and control animals at a dose of 20 mg/kg intraperitoneally	ChEMBL.	2564894

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.

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External resources for this compound

ChEMBL: 376397

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 405552