TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 463.916 | Formula: C24H22ClN5O3
H donors: 1 H acceptors: 4 LogP: 4.16 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1nc(cc2)c1noc(n1)C1CCN(CC1)C(=O)Nc1ccccc1Cl
InChi: 1S/C24H22ClN5O3/c1-32-20-8-4-5-15-9-10-19(26-21(15)20)22-28-23(33-29-22)16-11-13-30(14-12-16)24(31)27-18-7-3-2-6-17(18)25/h2-10,16H,11-14H2,1H3,(H,27,31)
InChiKey: XNSHMWXEBJZQTL-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	smoothened, frizzled class receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134998	All targets in OG5_134998
Echinococcus multilocularis	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998

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 brucei	hypothetical protein, conserved	0.0108	0.0603	0.4463
Schistosoma mansoni	hypothetical protein	0.0166	0.0956	0.2468
Echinococcus multilocularis	smoothened	0.041	0.2446	0.2439
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0293	0.0733
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0155	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0009	0.0022
Leishmania major	hypothetical protein, conserved	0.0225	0.1316	0.3417
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0117	0.0294
Loa Loa (eye worm)	hypothetical protein	0.001	0.0002	0.0006
Trypanosoma cruzi	hypothetical protein, conserved	0.0225	0.1316	0.3372
Loa Loa (eye worm)	RecQ helicase	0.0027	0.0105	0.0262
Echinococcus granulosus	smoothened	0.041	0.2446	0.6318
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0026	0.0099	0.0091
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0018	0.0054	0.0135
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0352	0.089
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0069	0.5569
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0603	0.152
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0117	0.0298
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0036	0.0027
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0117	0.0294
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0603	0.1304
Echinococcus multilocularis	bloom syndrome protein	0.0027	0.0105	0.0096
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0048	0.0117
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0048	0.0117
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0029	0.0119	0.0111
Onchocerca volvulus		0.0058	0.0293	0.3605
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.0603	0.151
Echinococcus granulosus	lamin	0.0058	0.0293	0.0736
Brugia malayi	beta-lactamase	0.0108	0.0603	0.151
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0519	0.0511
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0519	0.1323
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0029	0.0119	0.0128
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0018	0.005	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0286	0.0716
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Loa Loa (eye worm)	hypothetical protein	0.001	0.0002	0.0006
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0099	0.0214
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0048	0.0117
Loa Loa (eye worm)	MH2 domain-containing protein	0.0256	0.1503	0.3764
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.001	0.0002	0.0006
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0352	0.072
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0029	0.0119	0.1864
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0036	0.007
Echinococcus multilocularis	geminin	0.0166	0.0956	0.0948
Brugia malayi	Smad1	0.0017	0.0048	0.0119
Leishmania major	hypothetical protein, conserved	0.0108	0.0603	0.154
Schistosoma mansoni	hypothetical protein	0.0015	0.0036	0.0086
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.0009	0.0022
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0029	0.0119	0.1228
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0119	0.0128
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0155	0.0387
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0119	0.0125
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0187	0.0461
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0119	0.1583
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0603	0.1309
Entamoeba histolytica	acyl-coA synthetase, putative	0.0029	0.0119	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0108	0.0603	0.1304
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0119	0.0128
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0036	0.0027
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0069	0.0318
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0603	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0119	0.0263
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0009	0.0017
Echinococcus multilocularis	lamin dm0	0.0058	0.0293	0.0284
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0099	0.0077
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0352	0.5776
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0267	0.0686
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0305	0.0765
Echinococcus multilocularis	Smad4	0.0017	0.0048	0.0039
Brugia malayi	intermediate filament protein	0.0058	0.0293	0.0733
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0519	0.1338
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0352	0.072
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0643	0.3866	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Echinococcus granulosus	intermediate filament protein	0.0058	0.0293	0.0736
Mycobacterium leprae	Probable lipase LipE	0.0108	0.0603	0.1309
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0663	0.3993	1
Brugia malayi	MH2 domain containing protein	0.0017	0.0048	0.0119
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0119	0.0263
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0069	0.5471
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0029	0.0119	0.0125
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0267	0.067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0603	0.1555
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0099	0.0076
Brugia malayi	beta-lactamase family protein	0.0108	0.0603	0.151
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0099	0.0211
Echinococcus multilocularis	musashi	0.0058	0.0293	0.0284
Mycobacterium ulcerans	beta-lactamase	0.0108	0.0603	0.136
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0018	0.0054	0.0135
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0603	1
Echinococcus granulosus	lamin dm0	0.0058	0.0293	0.0736
Loa Loa (eye worm)	hypothetical protein	0.0262	0.1541	0.3859
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0009	0.0022
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0119	0.1583
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0643	0.3866	0.3861
Echinococcus multilocularis	frizzled 5	0.0018	0.0054	0.0045
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0117	0.1831
Mycobacterium tuberculosis	Probable lipase LipD	0.0108	0.0603	0.1304
Onchocerca volvulus		0.0029	0.0119	0.004
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0603	0.1304
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0155	0.0394
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0029	0.0119	0.0299
Giardia lamblia	PHD finger protein 15	0.0029	0.0117	1
Onchocerca volvulus		0.0029	0.0119	0.004
Schistosoma mansoni	hypothetical protein	0.0053	0.0267	0.0686
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0634	0.3815	0.9134
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Toxoplasma gondii	exonuclease III APE	0.0021	0.0069	0.102
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0029	0.0119	0.0125
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0018	0.0054	0.0135
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0603	0.136
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0108	0.0603	0.1304
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0029	0.0119	1
Brugia malayi	jmjC domain containing protein	0.0035	0.0155	0.0387
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0155	0.0378
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0029	0.0119	0.0128
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0029	0.0119	0.0706
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0026	0.0099	0.1234
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0119	0.0128
Loa Loa (eye worm)	hypothetical protein	0.005	0.0243	0.061
Schistosoma mansoni	hypothetical protein	0.0166	0.0956	0.2468
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0069	0.0709
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0069	0.5
Onchocerca volvulus		0.0029	0.0119	0.004
Brugia malayi	AMP-binding enzyme family protein	0.0663	0.3993	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0069	0.0133
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0119	0.0128
Leishmania major	fatty acid transporter protein-like protein	0.0634	0.3815	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0009	0.0022
Echinococcus multilocularis	frizzled	0.0018	0.0054	0.0045
Trypanosoma cruzi	hypothetical protein, conserved	0.0225	0.1316	0.3372
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0048	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0049	0.024	0.06
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0029	0.0119	1
Schistosoma mansoni	lamin	0.0058	0.0293	0.0751
Echinococcus multilocularis	frizzled	0.0018	0.0054	0.0045
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0036	0.0027
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Echinococcus granulosus	peregrin	0.0029	0.0117	0.0282
Echinococcus granulosus	frizzled	0.0018	0.0054	0.0118
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0069	0.0134
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0029	0.0119	0.0125
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0069	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0145	0.0364
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0603	0.1304
Schistosoma mansoni	hypothetical protein	0.0015	0.0036	0.0086
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Mycobacterium tuberculosis	Probable hydrolase	0.0108	0.0603	0.1304
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0018	0.0054	0.0135
Loa Loa (eye worm)	beta-lactamase	0.0108	0.0603	0.151
Schistosoma mansoni	hypothetical protein	0.0033	0.0145	0.037
Echinococcus granulosus	citrate lyase subunit beta protein	0.0026	0.0099	0.0235
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0024	0.0085	0.6876
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0119	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0104	0.0261
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0119	0.0263
Brugia malayi	Bromodomain containing protein	0.0029	0.0117	0.0294
Schistosoma mansoni	hypothetical protein	0.0029	0.0117	0.0298
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0029	0.0119	0.0128
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0029	0.0119	0.0125
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0119	0.0266
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.0111	0.0265
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0119	0.0125
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0603	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0603	0.152
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0293	0.0733
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0692	0.417	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0119	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Schistosoma mansoni	ap endonuclease	0.0021	0.0069	0.0173
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0069	0.0173
Echinococcus granulosus	frizzled 4	0.0018	0.0054	0.0118
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0029	0.0119	0.0128
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0069	0.0157
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Schistosoma mansoni	Smad4	0.0017	0.0048	0.0117
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0119	0.0266
Echinococcus granulosus	survival motor neuron protein 1	0.0262	0.1541	0.3973
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0117	0.1831
Schistosoma mansoni	hypothetical protein	0.0015	0.0036	0.0086
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.0603	0.1541
Schistosoma mansoni	hypothetical protein	0.0015	0.0036	0.0086
Brugia malayi	hypothetical protein	0.0262	0.1541	0.3859
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0187	0.0178
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0069	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0119	0.0266
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0048	0.0117
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Schistosoma mansoni	frizzled-like receptor	0.0018	0.0054	0.0134
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0119	0.0706
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0129	0.0324
Trichomonas vaginalis	esterase, putative	0.0108	0.0603	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Mycobacterium ulcerans	lipase LipD	0.0108	0.0603	0.136
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0117	0.1193
Trichomonas vaginalis	DNA helicase recq1, putative	0.0027	0.0105	0.1326
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0036	0.007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.0519	0.13
Onchocerca volvulus		0.0058	0.0293	0.3605
Brugia malayi	beta-lactamase family protein	0.0108	0.0603	0.151
Schistosoma mansoni	ap endonuclease	0.0021	0.0069	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0119	0.0299
Loa Loa (eye worm)	oxidoreductase	0.0029	0.0119	0.0299
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0099	0.0211
Onchocerca volvulus		0.0108	0.0603	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0519	0.1322
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0119	0.0266
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0029	0.0119	0.0125
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0352	0.0344
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.024	0.06
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0603	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0117	0.0109
Echinococcus multilocularis	smad	0.0017	0.0048	0.0039
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0048	0.0101
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0009	0.00000000051731
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0119	0.0263
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0119	0.0128
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.0111	0.0102
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0119	0.0266
Onchocerca volvulus		0.0053	0.0267	0.3089
Trypanosoma brucei	hypothetical protein, conserved	0.0225	0.1316	1
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0026	0.0099	0.0077
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.0519	0.1323
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0119	1
Echinococcus granulosus	frizzled	0.0018	0.0054	0.0118
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0069	0.0709
Brugia malayi	MH1 domain containing protein	0.0017	0.0048	0.0119
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0119	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0129	0.0324
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0603	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0069	0.0173
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0099	0.0077
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0036	0.0089
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0026	0.0099	0.0077
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0119	0.0299
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0634	0.3815	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0764	0.1914
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0029	0.0027
Schistosoma mansoni	acetyl-CoA synthetase	0.0029	0.0119	0.0303
Echinococcus granulosus	Smad4	0.0017	0.0048	0.0101
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.0603	0.151
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0119	0.0125
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.024	0.06
Onchocerca volvulus		0.0108	0.0603	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0119	0.0125
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.0519	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Echinococcus granulosus	smad	0.0017	0.0048	0.0101
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0036	0.0089
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.0603	0.0595
Echinococcus multilocularis	survival motor neuron protein 1	0.0262	0.1541	0.1534
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0029	0.0119	0.0125
Schistosoma mansoni	frizzled-like receptor	0.0018	0.0054	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0111	0.0277
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0026	0.0099	0.0076
Mycobacterium tuberculosis	Probable esterase LipL	0.0108	0.0603	0.1304
Schistosoma mansoni	smad	0.0017	0.0048	0.0117
Schistosoma mansoni	blooms syndrome DNA helicase	0.0021	0.007	0.0176
Echinococcus multilocularis	lamin	0.0058	0.0293	0.0284
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0029	0.0119	0.0128
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0293	0.0751
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0029	0.0119	0.0125
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0048	0.0039
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0352	0.072
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0519	0.1338
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.0519	0.1338
Schistosoma mansoni	frizzled	0.0018	0.0054	0.0134
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0108	0.0603	0.1304
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0048	0.0039
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0293	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0119	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0104	0.0261
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.001	0.0002	0.0006
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0643	0.3866	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0117	0.0282
Onchocerca volvulus		0.0108	0.0603	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0048	0.0119
Schistosoma mansoni	FFA transport protein	0.0643	0.3866	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0036	0.0089
Toxoplasma gondii	ABC1 family protein	0.0108	0.0603	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0352	0.0692
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0029	0.0119	0.0128
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0352	0.0905
Echinococcus multilocularis	frizzled 4	0.0018	0.0054	0.0045
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0029	0.0119	0.1864
Mycobacterium ulcerans	esterase/lipase LipP	0.0108	0.0603	0.136
Loa Loa (eye worm)	hypothetical protein	0.0402	0.2394	0.5995
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0663	0.3993	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0048	0.0101
Loa Loa (eye worm)	transcription factor SMAD2	0.0256	0.1503	0.3764
Brugia malayi	PHD-finger family protein	0.0029	0.0117	0.0294
Brugia malayi	Bloom's syndrome protein homolog	0.0027	0.0105	0.0262
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0352	0.0905
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0036	0.0089
Echinococcus granulosus	frizzled 5	0.0018	0.0054	0.0118
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0069	0.4482
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0108	0.0603	0.1304
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.024	0.06
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0029	0.0119	0.0287
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0145	0.0364
Brugia malayi	MH1 domain containing protein	0.0017	0.0048	0.0119
Schistosoma mansoni	lamin	0.0058	0.0293	0.0751
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0119	0.0299
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0029	0.0027
Trichomonas vaginalis	DNA helicase recq, putative	0.0027	0.0105	0.1326
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0603	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0603	0.1555
Brugia malayi	MH2 domain containing protein	0.0017	0.0048	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0119	0.0299
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0026	0.0099	0.0077
Echinococcus multilocularis	frizzled 10	0.0018	0.0054	0.0045
Onchocerca volvulus		0.0029	0.0119	0.004
Echinococcus granulosus	GPCR family 2	0.0015	0.0036	0.007
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0119	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Echinococcus granulosus	frizzled	0.0018	0.0054	0.0118
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0117	0.9824
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0293	0.0733
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0029	0.0119	0.0299
Echinococcus granulosus	geminin	0.0166	0.0956	0.2456
Brugia malayi	jmjC domain containing protein	0.0095	0.0519	0.1299
Echinococcus granulosus	bloom syndrome protein	0.0027	0.0105	0.0249
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0069	0.0317
Echinococcus multilocularis	peregrin	0.0029	0.0117	0.0109
Brugia malayi	MH2 domain containing protein	0.0256	0.1503	0.3764
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.0519	0.13
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0069	0.0061
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0519	0.051
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0603	0.151
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0009	0.0017
Onchocerca volvulus		0.0029	0.0119	0.004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0002	0.0006
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0069	0.0003
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0643	0.3866	1
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0029	0.0119	0.0128
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0119	0.0128
Toxoplasma gondii	propionate-CoA ligase	0.0029	0.0119	0.1864
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0119	0.0128
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.04	0.1029
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0352	0.0879
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0119	0.0125
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0108	0.0603	0.136
Loa Loa (eye worm)	Smad1	0.0017	0.0048	0.0119

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 2.5 uM	Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis	ChEMBL.	21803580

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL1823852

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1038704