TDR Targets

Basic information

Technical information

TDR Targets ID: 250498
Name: N-[9,10-dioxo-5-(3-piperidin-1-ylpropanoylami no)anthracen-1-yl]-3-piperidin-1-ylpropanamid e
MW: 516.631 | Formula: C30H36N4O4
H donors: 2 H acceptors: 4 LogP: 3.96 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)NC(=O)CCN1CCCCC1)CCN1CCCCC1
InChi: 1S/C30H36N4O4/c35-25(13-19-33-15-3-1-4-16-33)31-23-11-7-9-21-27(23)29(37)22-10-8-12-24(28(22)30(21)38)32-26(36)14-20-34-17-5-2-6-18-34/h7-12H,1-6,13-20H2,(H,31,35)(H,32,36)
InChiKey: MXHJGSBEOUZPAC-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-[9,10-dioxo-5-[3-(1-piperidyl)propanoylamino]-1-anthryl]-3-(1-piperidyl)propanamide
N-[9,10-dioxo-5-[[1-oxo-3-(1-piperidyl)propyl]amino]-1-anthryl]-3-(1-piperidyl)propanamide
N-[9,10-dioxo-5-(3-piperidin-1-ylpropanoylamino)anthracen-1-yl]-3-piperidin-1-yl-propanamide
N-[9,10-diketo-5-(3-piperidinopropanoylamino)-1-anthryl]-3-piperidino-propionamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	telomerase reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	telomerase reverse transcriptase	Get druggable targets OG5_131652	All targets in OG5_131652
Onchocerca volvulus	Telomerase reverse transcriptase homolog	Get druggable targets OG5_131652	All targets in OG5_131652
Brugia malayi	Telomerase reverse transcriptase	Get druggable targets OG5_131652	All targets in OG5_131652
Theileria parva	hypothetical protein	Get druggable targets OG5_131652	All targets in OG5_131652
Candida albicans	telomerase reverse transcriptase	Get druggable targets OG5_131652	All targets in OG5_131652
Babesia bovis	conserved hypothetical protein	Get druggable targets OG5_131652	All targets in OG5_131652

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	hypothetical protein	0.0163	0.0376	0.0351
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0052	0.0104	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Onchocerca volvulus		0.0052	0.0104	0.0533
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0153
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0104	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0299	0.0299
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.0108	0.0107
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.031	0.0734	0.1125
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.0027	0.00000028421
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0103	0.0228	0.0321
Brugia malayi	hypothetical protein	0.0012	0.0008	0.0008
Echinococcus granulosus	sterol regulatory element binding protein	0.0086	0.0187	0.0187
Giardia lamblia	Telomerase catalytic subunit	0.0103	0.0228	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.0108	0.0129
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0137	0.011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0093	0.0066
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Brugia malayi	Latrophilin receptor protein 2	0.0099	0.0219	0.0219
Trichomonas vaginalis	antibiotic synthetase, putative	0.0052	0.0104	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0176	0.0408	0.0382
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0086	0.0187	0.0187
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0125	0.0282	0.0215
Loa Loa (eye worm)	thymidylate synthase	0.0755	0.182	0.182
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0093	0.0093
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0093	0.0092
Echinococcus multilocularis	dnaJ subfamily B	0.042	0.1002	0.1002
Brugia malayi	latrophilin 2 splice variant baaae	0.0214	0.05	0.05
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0099	0.0219	0.0219
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0313	0.0741	0.0741
Onchocerca volvulus		0.0176	0.0408	0.2208
Schistosoma mansoni	hypothetical protein	0.0099	0.0219	0.0193
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0108	0.0129
Schistosoma mansoni	hypothetical protein	0.042	0.1002	0.0978
Brugia malayi	beta-lactamase family protein	0.0037	0.0068	0.0068
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0099	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0351	0.0833	0.0809
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0137	0.0136
Schistosoma mansoni	acetyl-CoA synthetase	0.0052	0.0104	0.0078
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0052	0.0104	0.0123
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0108	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0408	0.0408
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0131	0.0104
Brugia malayi	Dihydrofolate reductase	0.411	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0176	0.0408	0.0382
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0068	0.0042
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.0108	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.0554	0.0489
Schistosoma mansoni	cpg binding protein	0.0031	0.0054	0.0027
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Leishmania major	4-coumarate:coa ligase-like protein	0.0176	0.0408	0.0544
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0137	0.0136
Brugia malayi	Pax transcription activation domain interacting protein	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Echinococcus multilocularis	geminin	0.0351	0.0833	0.0833
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0137	0.011
Trichomonas vaginalis	antibiotic synthetase, putative	0.0052	0.0104	0.0936
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2599	0.6316	1
Echinococcus multilocularis	protein dispatched 1	0.0098	0.0217	0.0216
Brugia malayi	topoisomerase	0.002	0.0027	0.0027
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0203	0.0473	0.0447
Onchocerca volvulus		0.0755	0.182	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0125	0.0282	0.0215
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0099	0.0219	0.0219
Plasmodium falciparum	replication factor C subunit 1, putative	0.002	0.0027	0.003
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0099	0.0219	0.0219
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0313	0.0741	0.0741
Brugia malayi	Telomerase reverse transcriptase	0.0273	0.0644	0.0644
Mycobacterium ulcerans	acyl-CoA synthetase	0.0176	0.0408	0.0382
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0068	0.0042
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0.0027	0.0000034252
Brugia malayi	hypothetical protein	0.0012	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0084	0.0092
Brugia malayi	Patched related family protein 10	0.0012	0.0008	0.0008
Brugia malayi	protein C24B5.3	0.0012	0.0008	0.0008
Echinococcus multilocularis	protein patched	0.0086	0.0187	0.0187
Loa Loa (eye worm)	patched family protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	oxidoreductase	0.0052	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0068	0.0042
Brugia malayi	hypothetical protein	0.0012	0.0008	0.0008
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.411	1	1
Schistosoma mansoni	hypothetical protein	0.0099	0.0219	0.0193
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0052	0.0104	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.0108	0.0063
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0132	0.0299	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0234	0.0234
Treponema pallidum	DNA ligase (lig)	0.002	0.0027	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.02	0.0465	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0099	0.0219	0.0193
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0176	0.0408	0.0342
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.0336	0.0492
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2599	0.6316	1
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Loa Loa (eye worm)	dihydrofolate reductase	0.411	1	1
Echinococcus granulosus	nibrin	0.002	0.0027	0.0026
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0084	0.0092
Mycobacterium ulcerans	thymidylate synthase	0.0755	0.182	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.2599	0.6316	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0052	0.0104	0.1767
Toxoplasma gondii	propionate-CoA ligase	0.0052	0.0104	0.0153
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0052	0.0104	0.0078
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0052	0.0104	0.0036
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0137	0.0136
Loa Loa (eye worm)	patched family protein	0.0012	0.0008	0.0007
Plasmodium vivax	acyl-CoA synthetase, putative	0.0132	0.0299	0.0462
Echinococcus granulosus	Protein patched homolog 1	0.0086	0.0187	0.0187
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0052	0.0104	0.0036
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0104	0.0036
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0052	0.0104	0.0153
Schistosoma mansoni	hypothetical protein	0.0083	0.018	0.0153
Brugia malayi	hypothetical protein	0.0039	0.0073	0.0073
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0755	0.182	0.1798
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0108	0.0978
Echinococcus multilocularis	dihydrofolate reductase	0.411	1	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0299	0.0299
Brugia malayi	MH2 domain containing protein	0.0123	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Trypanosoma brucei	telomerase reverse transcriptase	0.0103	0.0228	0.0321
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Leishmania major	telomerase reverse transcriptase, putative	0.0103	0.0228	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Brugia malayi	Myosin head containing protein	0.0012	0.0008	0.0008
Echinococcus granulosus	replication factor c subunit 1	0.002	0.0027	0.0026
Loa Loa (eye worm)	patched family protein	0.0012	0.0008	0.0007
Echinococcus multilocularis	cpg binding protein	0.0031	0.0054	0.0054
Brugia malayi	beta-lactamase family protein	0.0037	0.0068	0.0068
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0137	0.011
Echinococcus granulosus	expressed conserved protein	0.0188	0.0436	0.0435
Onchocerca volvulus		0.0056	0.0114	0.0587
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Echinococcus multilocularis	thymidylate synthase	0.0755	0.182	0.182
Brugia malayi	AMP-binding enzyme family protein	0.0176	0.0408	0.0408
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0052	0.0104	0.0078
Leishmania major	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0093	0.0092
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0052	0.0104	0.0104
Onchocerca volvulus		0.0052	0.0104	0.0533
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.3391	0.8246	0.8246
Onchocerca volvulus		0.0029	0.005	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0052	0.0104	0.0078
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0099	0.0219	0.0219
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0114	0.0169
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0103	0.0228	0.0321
Entamoeba histolytica	hypothetical protein	0.0039	0.0073	0.1059
Echinococcus granulosus	Niemann Pick C1 protein	0.0285	0.0674	0.0674
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0068	0.0042
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0052	0.0104	0.0078
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0176	0.0408	0.8692
Onchocerca volvulus		0.002	0.0027	0.0106
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.002	0.0027	0.003
Onchocerca volvulus		0.0052	0.0104	0.0533
Toxoplasma gondii	RNA-directed DNA polymerase	0.0103	0.0228	0.035
Trypanosoma brucei	protein kinase, putative	0.0053	0.0108	0.0129
Schistosoma mansoni	dihydrofolate reductase	0.411	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0108	0.0081
Toxoplasma gondii	hypothetical protein	0.005	0.01	0.0147
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0299	0.0299
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0137	0.0136
Trichomonas vaginalis	conserved hypothetical protein	0.0359	0.0854	1
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0052	0.0104	0.0104
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.0108	0.0129
Entamoeba histolytica	hypothetical protein	0.0039	0.0073	0.1059
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0137	0.0136
Echinococcus granulosus	cpg binding protein	0.0031	0.0054	0.0054
Brugia malayi	TAR-binding protein	0.0065	0.0137	0.0137
Brugia malayi	Patched related family protein 4	0.0012	0.0008	0.0008
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0052	0.0104	0.0036
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0093	0.0066
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0068	0.0501
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0073	0.0047
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0.0027	0.0000064654
Schistosoma mansoni	hypothetical protein	0.0083	0.018	0.0153
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0093	0.0092
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0104	0.0036
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0045	0.0087	0.0019
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.411	1	1
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0104	0.0078
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0068	0.0066
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0099	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0313	0.0741	0.0741
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0068	0.0068
Leishmania major	mitochondrial DNA polymerase beta	0.031	0.0734	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0132	0.0299	0.0273
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0187	0.1937
Echinococcus granulosus	geminin	0.0351	0.0833	0.0833
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2599	0.6316	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0068	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Brugia malayi	Niemann-Pick C1 protein precursor	0.02	0.0465	0.0465
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.0108	0.0063
Onchocerca volvulus		0.0037	0.0068	0.0334
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0052	0.0104	0.0078
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0068	0.0042
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.0027	0.003
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Entamoeba histolytica	acyl-coA synthetase, putative	0.0176	0.0408	0.8692
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.0108	0.0107
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Mycobacterium ulcerans	acyl-CoA synthetase	0.0176	0.0408	0.0382
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.0277	0.0277
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0052	0.0104	0.0123
Echinococcus granulosus	dihydrofolate reductase	0.411	1	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.0336	0.0429
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0052	0.0104	0.0104
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0359	0.0854	0.1316
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.0027	0.0026
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0027	0.0000034252
Echinococcus granulosus	thymidylate synthase	0.0755	0.182	0.182
Leishmania major	4-coumarate:coa ligase-like protein	0.0176	0.0408	0.0544
Brugia malayi	hypothetical protein	0.0359	0.0854	0.0854
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.0108	0.0159
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0176	0.0408	0.0382
Brugia malayi	protein C24B5.3	0.0012	0.0008	0.0008
Leishmania major	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0058
Brugia malayi	CXXC zinc finger family protein	0.0029	0.005	0.005
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0137	0.011
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0123
Loa Loa (eye worm)	patched family protein	0.0012	0.0008	0.0007
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.002	0.0027	0.0027
Chlamydia trachomatis	dihydrofolate reductase	0.411	1	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0408	0.0408
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.031	0.0734	0.1125
Trichomonas vaginalis	esterase, putative	0.0037	0.0068	0.0501
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0052	0.0104	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0052	0.0104	0.0036
Loa Loa (eye worm)	hypothetical protein	0.02	0.0465	0.0465
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0068	0.0042
Plasmodium falciparum	acyl-CoA synthetase	0.0132	0.0299	0.0462
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.0108	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	hypothetical protein	0.0176	0.0408	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.0108	0.0129
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0132	0.0299	0.0233
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0052	0.0104	0.0123
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0068	0.0501
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0125	0.0282	0.0215
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0084	0.0092
Loa Loa (eye worm)	patched family protein	0.0012	0.0008	0.0007
Echinococcus granulosus	dnaJ subfamily B	0.042	0.1002	0.1002
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0176	0.0408	0.0382
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0176	0.0408	0.0382
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0137	0.0137
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0073	0.0073
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0147	0.0336	0.0492
Brugia malayi	beta-lactamase	0.0037	0.0068	0.0068
Schistosoma mansoni	patched 1	0.0086	0.0187	0.0161
Brugia malayi	Patched related family protein 12	0.0012	0.0008	0.0008
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Brugia malayi	hypothetical protein	0.0012	0.0008	0.0008
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2599	0.6316	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0073	0.0073
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Toxoplasma gondii	ABC1 family protein	0.0037	0.0068	0.0096
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0137	0.011
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0103	0.0228	0.035
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0084	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Schistosoma mansoni	hypothetical protein	0.0214	0.05	0.0474
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Echinococcus multilocularis	Niemann Pick C1 protein	0.02	0.0465	0.0465
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0068	0.0066
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Brugia malayi	CHE-14 protein	0.0086	0.0187	0.0187
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0068	0.0068
Entamoeba histolytica	hypothetical protein	0.0039	0.0073	0.1059
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.411	1	1
Onchocerca volvulus		0.0037	0.0068	0.0334
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0093	0.0092
Echinococcus multilocularis	GPCR, family 2	0.0099	0.0219	0.0219
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0052	0.0104	0.0104
Brugia malayi	DKFZp564C0469 protein	0.002	0.0027	0.0027
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0755	0.182	0.1764
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0123
Schistosoma mansoni	cpg binding protein	0.0031	0.0054	0.0027
Echinococcus granulosus	GPCR family 2	0.0099	0.0219	0.0219
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0052	0.0104	0.0058
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0068	0.0042
Schistosoma mansoni	hypothetical protein	0.0083	0.018	0.0153
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0052	0.0104	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0052	0.0104	0.0104
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0104	0.0036
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.0108	0.0107
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.0376	0.031
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0313	0.0741	0.0741
Mycobacterium ulcerans	lipase LipD	0.0037	0.0068	0.0042
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0068	0.0066
Echinococcus multilocularis	nibrin	0.002	0.0027	0.0026
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0376	0.0895	0.4896
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0068	0.0042
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.031	0.0734	0.1125
Brugia malayi	RNA binding protein	0.0065	0.0137	0.0137
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0123
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0052	0.0104	0.0078
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068
Schistosoma mansoni	cpg binding protein	0.0029	0.005	0.0023
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Brugia malayi	Patched protein homolog 1	0.0012	0.0008	0.0008
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.0108	0.0107
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.02	0.0465	1
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0052	0.0104	0.0078
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0108	0.0978
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0052	0.0104	0.0078
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.0108	0.4011
Brugia malayi	thymidylate synthase	0.0755	0.182	0.182
Plasmodium vivax	replication factor C subunit 1, putative	0.002	0.0027	0.003
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0125	0.0282	0.0215
Schistosoma mansoni	hypothetical protein	0.0083	0.018	0.0153
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0176	0.0408	0.8692
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0068	0.0501
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0176	0.0408	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0104	0.0104
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0052	0.0104	0.0036
Leishmania major	4-coumarate:coa ligase-like protein	0.0176	0.0408	0.0544
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	0.0039	0.0073	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0104	0.0104
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0068	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0027	0.0000034252
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0187	0.0187
Brugia malayi	AMP-binding enzyme family protein	0.0176	0.0408	0.0408
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0755	0.182	0.1798
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.0108	0.0107
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0068	0.0068
Entamoeba histolytica	hypothetical protein	0.0039	0.0073	0.1059
Brugia malayi	hypothetical protein	0.002	0.0027	0.0027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0093	0.0066
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0176	0.0408	0.0342
Echinococcus multilocularis	Niemann Pick C1 protein	0.0285	0.0674	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Brugia malayi	AMP-binding enzyme family protein	0.0176	0.0408	0.0408
Mycobacterium tuberculosis	Hypothetical protein	0.0359	0.0854	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0052	0.0104	0.0153
Schistosoma mansoni	hypothetical protein	0.0099	0.0219	0.0193
Plasmodium falciparum	telomerase reverse transcriptase	0.0103	0.0228	0.035
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2599	0.6316	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.05	0.0499
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0.0027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0093	0.0092
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0104	0.0078
Onchocerca volvulus		0.0037	0.0068	0.0334
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0104	0.0078
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0026
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0052	0.0104	0.0078
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0008	0.0007
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0108	0.0978
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0068	0.0096
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Brugia malayi	Patched family protein	0.0012	0.0008	0.0008
Echinococcus multilocularis	sterol regulatory element binding protein	0.0086	0.0187	0.0187
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0176	0.0408	0.0382
Brugia malayi	MAP kinase sur-1	0.0053	0.0108	0.0108
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0351	0.0833	0.0809
Echinococcus multilocularis	expressed conserved protein	0.0188	0.0436	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0068	0.0068

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.42 uM	In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (functional)	= 0.42 uM	In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (functional)	= 0.435 uM	In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (functional)	= 0.435 uM	In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (functional)	= 0.82 uM	In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (functional)	= 0.82 uM	In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SRB) assay.	ChEMBL.	9822556
IC50 (binding)	= 2.3 uM	Inhibitory activity of telomerase was measured using the TRAP assay.	ChEMBL.	9822556
IC50 (binding)	= 2.3 uM	Inhibitory activity of telomerase was measured using the TRAP assay.	ChEMBL.	9822556
Taq inhibition (binding)	=	Inhibition of Taq polymerase at 10 uM concentration;No inhibition	ChEMBL.	9822556
Taq inhibition (binding)	=	Inhibition of Taq polymerase at 20 uM concentration;No inhibition	ChEMBL.	9822556
Taq inhibition (binding)	=	Inhibition of Taq polymerase at 50 uM concentration;Slight inhibition	ChEMBL.	9822556
Taq inhibition (binding)	= 0	Inhibition of Taq polymerase at 10 uM concentration;No inhibition	ChEMBL.	9822556
Taq inhibition (binding)	= 0	Inhibition of Taq polymerase at 20 uM concentration;No inhibition	ChEMBL.	9822556
Taq inhibition (binding)	= 0	Inhibition of Taq polymerase at 50 uM concentration;Slight inhibition	ChEMBL.	9822556

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	9822556

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: CHEMBL144848
PubChem: 10625702

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 250498