TDR Targets

Basic information

Technical information

TDR Targets ID: 1284022
Name: 3-ethyl-1-methyl-2,4,6-triphenylpiperidin-4-o l hydrochloride
MW: 407.976 | Formula: C26H30ClNO
H donors: 1 H acceptors: 1 LogP: 6.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCC1C(c2ccccc2)N(C)C(CC1(O)c1ccccc1)c1ccccc1.Cl
InChi: 1S/C26H29NO.ClH/c1-3-23-25(21-15-9-5-10-16-21)27(2)24(20-13-7-4-8-14-20)19-26(23,28)22-17-11-6-12-18-22;/h4-18,23-25,28H,3,19H2,1-2H3;1H
InChiKey: OZXSDHWYALPRKR-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

3-ethyl-1-methyl-2,4,6-triphenyl-piperidin-4-ol hydrochloride
3-ethyl-1-methyl-2,4,6-triphenyl-4-piperidinol hydrochloride
MLS000687088
SMR000284045

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0011	0.0018	0.003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0913	0.1624
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0108	0.1	0.3221
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0032	0.0223	0.0198
Schistosoma mansoni	hypothetical protein	0.0012	0.0026	0.008
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0266	0.2597	0.271
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0011	0.0018	0.003
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0122	0.0471
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0223	0.0928
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.051	0.5015
Echinococcus granulosus	carbonic anhydrase II	0.02	0.193	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0226	0.0725
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0324	0.0314
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.02	0.193	0.6215
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0138	0.0244
Echinococcus multilocularis	lamin dm0	0.0033	0.0232	0.0411
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Schistosoma mansoni	hypothetical protein	0.0036	0.0272	0.087
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0161	0.1535	0.159
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0122	0.0471
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0011	0.0018	0.003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0065	0.0212
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0324	0.0314
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0122	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0108	0.1	0.3217
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0012	0.0026	0.0086
Toxoplasma gondii	hypothetical protein	0.0108	0.1	1
Leishmania major	cytochrome p450-like protein	0.0022	0.0129	0.0501
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0122	0.0216
Brugia malayi	beta-lactamase family protein	0.0042	0.0324	0.1043
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0138	0.0441
Schistosoma mansoni	carbonic anhydrase	0.0108	0.1	0.3217
Echinococcus multilocularis	cpg binding protein	0.0033	0.0241	0.0428
Mycobacterium ulcerans	integral membrane transporter	0.0032	0.0223	0.0198
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0272	0.0871
Loa Loa (eye worm)	Smad1	0.001	0.0002	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0232	0.0744
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0232	0.0744
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0324	0.0574
Echinococcus multilocularis		0.0012	0.0026	0.0045
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0129	0.0501
Schistosoma mansoni	carbonic anhydrase-related	0.0108	0.1	0.3217
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0324	0.0314
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1364	0.4392
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0032	0.0223	0.0198
Chlamydia trachomatis	sulfate transporter	0.0032	0.0223	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0138	0.0442
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0324	0.0574
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0061	0.0107
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0138	0.0445
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.0122	0.0101
Echinococcus granulosus	cpg binding protein	0.0033	0.0241	0.0428
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0493	0.1587
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0138	0.0441
Trypanosoma brucei	unspecified product	0.0023	0.0138	0.0544
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0324	0.0298
Schistosoma mansoni	hypothetical protein	0.0108	0.1	0.3217
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0122	0.0216
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0122	0.1063
Echinococcus granulosus	carbonic anhydrase	0.0108	0.1	0.1779
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0011	0.0018	0.0053
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0115	0.107	0.3444
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.02	0.193	0.6213
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0913	0.1624
Echinococcus multilocularis	lamin	0.0033	0.0232	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.0174
Onchocerca volvulus		0.0042	0.0324	0.0593
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0061	0.0107
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0012	0.0026	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0061	0.0193
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0122	0.039
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0129	0.0411
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0913	0.1624
Plasmodium vivax	sulfate transporter, putative	0.0032	0.0223	0.6716
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0272	0.0481
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0011	0.0018	0.003
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0324	0.0314
Echinococcus multilocularis	carbonic anhydrase	0.0108	0.1	0.1779
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0011	0.0018	0.0058
Echinococcus multilocularis	carbonic anhydrase II	0.02	0.193	0.3435
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0324	0.0314
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0324	0.0314
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0493	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1	0.3218
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0913	0.2937
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0913	0.2937
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1364	0.4392
Brugia malayi	cytochrome P450	0.0012	0.0026	0.0085
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.025	0.0801
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0011	0.0018	0.0058
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0324	1
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0324	0.0314
Schistosoma mansoni	carbonic anhydrase-related	0.0108	0.1	0.3217
Echinococcus granulosus	lamin	0.0033	0.0232	0.0411
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0011	0.0018	0.003
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0272	0.0875
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0324	0.0314
Schistosoma mansoni	lamin	0.0033	0.0232	0.0743
Plasmodium falciparum	carbonic anhydrase	0.0108	0.1	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0011	0.0018	0.003
Trypanosoma brucei	unspecified product	0.0016	0.0065	0.0212
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0011	0.0018	0.003
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0138	0.0121
Onchocerca volvulus		0.0042	0.0324	0.0593
Trichomonas vaginalis	esterase, putative	0.0042	0.0324	0.0306
Brugia malayi	MH1 domain containing protein	0.001	0.0002	0.0005
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0324	0.1381
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0947	0.9513	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0324	0.3115
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0011	0.0018	0.003
Schistosoma mansoni	cpg binding protein	0.0033	0.0241	0.0773
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0324	0.1348
Brugia malayi	MH1 domain containing protein	0.001	0.0002	0.0005
Echinococcus multilocularis	carbonic anhydrase	0.0108	0.1	0.1779
Mycobacterium leprae	Probable transmembrane transport protein	0.023	0.2233	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0324	0.1381
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0324	0.1381
Leishmania major	cytochrome p450-like protein	0.0012	0.0026	0.0038
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0048	0.0389	0.1643
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0115	0.107	0.3444
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1	0.3218
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0122	0.0471
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2799	0.4983
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0122	0.5
Onchocerca volvulus		0.0033	0.0232	0.0054
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0324	0.0298
Echinococcus granulosus	geminin	0.0205	0.1978	0.352
Leishmania major	hypothetical protein, conserved	0.0042	0.0324	0.1381
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.02	0.193	0.6213
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0129	0.0501
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0324	0.0306
Echinococcus granulosus	neuropeptide s receptor	0.0563	0.5616	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0324	0.1043
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0122	0.0105
Brugia malayi	MH2 domain containing protein	0.001	0.0002	0.0005
Echinococcus multilocularis	neuropeptide receptor A26	0.0563	0.5616	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0138	0.0442
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0012	0.0026	0.0038
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0129	0.0415
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.0913	0.2937
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0011	0.0018	0.003
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0108	0.1	0.3221
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0138	0.0112
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0232	0.0744
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0138	0.0544
Leishmania major	carbonic anhydrase-like protein	0.02	0.193	0.8632
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0011	0.0018	0.0058
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0065	0.0212
Brugia malayi	MH2 domain containing protein	0.001	0.0002	0.0005
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0122	0.0105
Echinococcus granulosus	lamin dm0	0.0033	0.0232	0.0411
Trichomonas vaginalis	conserved hypothetical protein	0.0995	1	1
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0278	0.272	0.2839
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0079	0.0254
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0272	0.0481
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0324	0.0298
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0108	0.1	0.3221
Leishmania major	hypothetical protein, conserved	0.023	0.2233	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0324	0.0306
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0002	0.0001
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0.0129	0.0103
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0138	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0324	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0701	0.2253
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0129	0.0411
Loa Loa (eye worm)	hypothetical protein	0.001	0.0005	0.0011
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.02	0.193	0.6215
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.023	0.2233	1
Echinococcus multilocularis	neuropeptide s receptor	0.0563	0.5616	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0011	0.0018	0.0053
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0324	0.0298
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0138	0.0244
Schistosoma mansoni	lamin	0.0033	0.0232	0.0743
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0138	0.0544
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0161	0.1535	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0055	0.0174
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0115	0.107	0.3447
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.023	0.2233	0.2326
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0138	0.0118
Brugia malayi	Smad1	0.001	0.0002	0.0005
Loa Loa (eye worm)	cytochrome P450	0.0012	0.0026	0.0081
Loa Loa (eye worm)	PDE1B protein	0.0011	0.0018	0.0054
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2799	0.4983
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0011	0.0018	0.003
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0054
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0011	0.0018	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Schistosoma mansoni	hypothetical protein	0.0036	0.0272	0.087
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0223	0.0715
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0138	0.0244
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0011	0.0018	0.003
Schistosoma mansoni	cpg binding protein	0.0033	0.0241	0.0773
Echinococcus granulosus	carbonic anhydrase	0.0108	0.1	0.1779
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0138	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Leishmania major	carbonic anhydrase family protein, putative	0.0048	0.0389	0.1675
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1	0.3218
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0122	0.8668
Brugia malayi	MH2 domain containing protein	0.0144	0.1364	0.4394
Echinococcus granulosus	GPCR family 2	0.0036	0.0272	0.0481
Echinococcus granulosus	dna polymerase eta	0.0023	0.0138	0.0244
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2799	0.9013
Onchocerca volvulus		0.0033	0.0232	0.0054
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0324	0.0306
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0122	0.3412
Trichomonas vaginalis	glutaminase, putative	0.0316	0.3105	0.3093
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0324	0.1039
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0122	0.0471
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.023	0.2233	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0138	0.0544
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0138	0.0112
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.02	0.193	0.6213
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.02	0.193	0.8632
Entamoeba histolytica	carbonic anhydrase, putative	0.0048	0.0389	1
Echinococcus multilocularis	geminin	0.0205	0.1978	0.352
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Loa Loa (eye worm)	CYP4Cod1	0.0022	0.0129	0.0411
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0012	0.0026	0.0038
Brugia malayi	hypothetical protein	0.0286	0.2799	0.9013
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0324	0.1038
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0026	0.0085
Schistosoma mansoni	glutaminase	0.0316	0.3105	1
Echinococcus multilocularis	musashi	0.0033	0.0232	0.0411
Mycobacterium ulcerans	glutaminase	0.0316	0.3105	0.3087
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0272	0.0871
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0138	0.0544
Schistosoma mansoni	hypothetical protein	0.0205	0.1978	0.6368
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Brugia malayi	Cytochrome P450 family protein	0.0034	0.025	0.0805
Trypanosoma brucei	cytochrome P450, putative	0.0022	0.0129	0.0501
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0138	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0054
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0108	0.1	0.3218
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0232	0.0743
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0065	0.0212
Mycobacterium ulcerans	lipase LipD	0.0042	0.0324	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Schistosoma mansoni	cytochrome P450	0.0012	0.0026	0.008
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0272	0.0481
Brugia malayi	beta-lactamase	0.0042	0.0324	0.1043
Onchocerca volvulus		0.0199	0.192	1
Onchocerca volvulus	Putative sulfate transporter	0.0199	0.192	1
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0223	0.0928
Trypanosoma brucei	carbonic anhydrase-like protein	0.02	0.193	0.8632
Trypanosoma brucei	unspecified product	0.0016	0.0065	0.0212
Schistosoma mansoni	cpg binding protein	0.0032	0.0223	0.0714
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0011	0.0018	0.0054
Echinococcus granulosus	intermediate filament protein	0.0033	0.0232	0.0411
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0108	0.1	0.3221
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0002	0.0001
Mycobacterium ulcerans	carbonic anhydrase	0.0048	0.0389	0.0364
Schistosoma mansoni	hypothetical protein	0.0058	0.0493	0.1583
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0324	0.0306
Onchocerca volvulus		0.0058	0.0493	0.1589
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.0583	0.1874
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0913	0.2937
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0122	0.0394
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0324	0.1348
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0138	0.0544
Schistosoma mansoni	carbonic anhydrase	0.0048	0.0389	0.1248
Schistosoma mansoni	ap endonuclease	0.0022	0.0122	0.0389
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0011	0.0018	0.003
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0324	0.1043
Brugia malayi	intermediate filament protein	0.0033	0.0232	0.0748
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0324	0.1039
Echinococcus granulosus	cytochrome P450 2K1	0.0012	0.0026	0.0045
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0138	0.0445
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0324	0.0306
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0324	0.1038
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0079	0.025
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0324	0.0314
Loa Loa (eye worm)	glutaminase	0.0316	0.3105	1
Trichomonas vaginalis	conserved hypothetical protein	0.0995	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0115	0.107	0.3447
Toxoplasma gondii	exonuclease III APE	0.0022	0.0122	0.1063
Schistosoma mansoni	hypothetical protein	0.0079	0.0701	0.2252
Schistosoma mansoni	ap endonuclease	0.0022	0.0122	0.0389
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0138	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0054
Onchocerca volvulus		0.0042	0.0324	0.0593
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0324	0.1039
Echinococcus granulosus	carbonic anhydrase	0.0108	0.1	0.1779
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0011	0.0018	0.003
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0138	0.0244
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0223	0.0928
Schistosoma mansoni	hypothetical protein	0.0036	0.0272	0.087
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0138	0.0441
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0011	0.0018	0.0053
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0272	0.0481
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0011	0.0018	0.003
Echinococcus multilocularis	carbonic anhydrase	0.0108	0.1	0.1779
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0011	0.0018	0.0058
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0011	0.0018	0.0058
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0032	0.0223	0.2092
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.02	0.193	0.8632
Brugia malayi	latrophilin 2 splice variant baaae	0.0079	0.0701	0.2256
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0108	0.1	0.3221
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0011	0.0018	0.003
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.0913	0.294
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0032	0.0223	0.2092
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0138	0.0118
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0913	0.1624
Loa Loa (eye worm)	carbonic anhydrase 3	0.02	0.193	0.6213
Leishmania major	cytochrome p450-like protein	0.0012	0.0026	0.0038
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0272	0.0875
Echinococcus granulosus	neuropeptide receptor A26	0.0563	0.5616	1
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0223	0.0719
Schistosoma mansoni	hypothetical protein	0.0036	0.0272	0.087
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0011	0.0018	0.003
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0138	0.0544
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.0122	0.0096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0138	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0054
Leishmania major	DNA polymerase eta, putative	0.0023	0.0138	0.0544
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0012	0.0026	0.0038
Loa Loa (eye worm)	glutaminase 2	0.0316	0.3105	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0011	0.0018	0.0058
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0012	0.0026	0.0038
Brugia malayi	glutaminase DH11.1	0.0316	0.3105	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0272	0.0481
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0129	0.0415
Schistosoma mansoni	hypothetical protein	0.0205	0.1978	0.6368
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0232	0.0748

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.5119 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1383015

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1284022