TDR Targets

Basic information

Technical information

TDR Targets ID: 1375361
Name: N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]m ethyl]-N-methyl-1-(3-methyl-1H-indol-2-yl)met hanamine
MW: 362.443 | Formula: C22H23FN4
H donors: 1 H acceptors: 1 LogP: 3.85 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cn1nc(c(c1)CN(Cc1[nH]c2c(c1C)cccc2)C)c1ccccc1F
InChi: 1S/C22H23FN4/c1-15-17-8-5-7-11-20(17)24-21(15)14-26(2)12-16-13-27(3)25-22(16)18-9-4-6-10-19(18)23/h4-11,13,24H,12,14H2,1-3H3
InChiKey: VNYLGEAYZFFEEM-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-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1H-indol-2-yl)methanamine
N-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-N-methyl-1-(3-methyl-1H-indol-2-yl)methanamine
[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]amine
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]methanamine
MLS000732238
SMR000316385

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Carboxylesterase family protein	0.0035	0.0565	0.0565
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0035	0.0565	0.0551
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.002	0.003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.0684	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Schistosoma mansoni	gliotactin	0.0035	0.0565	0.0791
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0035	0.0565	0.0562
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Onchocerca volvulus		0.0035	0.0565	0.3762
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.002	0.003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0684	0.0656
Brugia malayi	Carboxylesterase family protein	0.0205	0.6977	0.6977
Echinococcus multilocularis	glycine receptor subunit beta	0.002	0.003	0.0016
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0684	0.067
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0902	0.0874
Brugia malayi	Carboxylesterase family protein	0.0035	0.0565	0.0565
Schistosoma mansoni	ap endonuclease	0.0023	0.0115	0.0145
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0035	0.0565	0.7909
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Schistosoma mansoni	hypothetical protein	0.0205	0.6956	0.9971
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.002	0.003	0.003
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0565	0.0536
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0406	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0565	0.0536
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.002	0.003	0.0016
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0565	0.0791
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0035	0.0565	0.0551
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0035	0.0565	0.0562
Brugia malayi	beta-lactamase family protein	0.0037	0.0646	0.0646
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0646	0.934
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.002	0.003	0.0023
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0646	0.0664
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0646	0.0664
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1451	0.2064
Echinococcus multilocularis	glycine receptor subunit beta	0.002	0.003	0.0016
Echinococcus multilocularis	nAChR subunit	0.002	0.003	0.0016
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0646	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Brugia malayi	excitatory GABA receptor EXP-1A	0.002	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0737	0.0709
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0038	0.0684	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.003	0.003
Brugia malayi	Cation transporter family protein	0.002	0.003	0.003
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0205	0.6977	0.6968
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.002	0.003	0.0016
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0128	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0646	0.5
Onchocerca volvulus		0.0035	0.0565	0.3762
Brugia malayi	Carboxylesterase family protein	0.0035	0.0565	0.0565
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.002	0.003	0.003
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0646	0.934
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.002	0.003	0.0016
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.002	0.003	0.003
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0128	0.0114
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0646	0.0908
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Echinococcus multilocularis	neuroligin	0.0035	0.0565	0.0551
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.003	0.003
Schistosoma mansoni	BC026374 protein (S09 family)	0.0035	0.0565	0.0791
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.0684	1
Brugia malayi	Carboxylesterase family protein	0.0205	0.6977	0.6977
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0115	0.0085
Brugia malayi	Bromodomain containing protein	0.0039	0.0734	0.0734
Echinococcus granulosus	glycine receptor subunit beta	0.002	0.003	0.0016
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0684	0.067
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0205	0.6977	1
Echinococcus granulosus	geminin	0.0205	0.6956	0.6952
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Onchocerca volvulus		0.0037	0.0646	0.4334
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0646	0.934
Leishmania major	hypothetical protein, conserved	0.0037	0.0646	0.934
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Brugia malayi	hypothetical protein	0.0035	0.0565	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Loa Loa (eye worm)	hypothetical protein	0.003	0.0406	0.0377
Trichomonas vaginalis	spcc417.12 protein, putative	0.0035	0.0565	0.7909
Onchocerca volvulus		0.0035	0.0565	0.3762
Onchocerca volvulus		0.0058	0.1451	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0646	1
Onchocerca volvulus		0.0035	0.0565	0.3762
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0646	0.0646
Schistosoma mansoni	hypothetical protein	0.0021	0.0055	0.0058
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.002	0.003	0.0016
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Leishmania major	hypothetical protein, conserved	0.003	0.0406	0.5112
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0115	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0828	0.0801
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.002	0.003	0.0016
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.1558	0.1546
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1982	0.1957
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Echinococcus multilocularis	carboxylesterase 5A	0.0205	0.6977	0.6972
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1451	0.1451
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0646	0.0633
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.003	0.0023
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0115	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0035	0.0565	0.0551
Brugia malayi	Cation transporter family protein	0.002	0.003	0.003
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0406	0.5112
Loa Loa (eye worm)	acetylcholinesterase 1	0.0205	0.6977	0.6968
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0646	0.934
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0684	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.002	0.003	0.003
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0565	0.0791
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Onchocerca volvulus		0.0037	0.0646	0.4334
Echinococcus granulosus	acetylcholinesterase	0.0205	0.6977	0.6972
Brugia malayi	beta-lactamase	0.0037	0.0646	0.0646
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0646	0.0664
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0684	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0035	0.0565	0.0791
Echinococcus granulosus	neuroligin	0.0035	0.0565	0.0551
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.003	0.0023
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.0684	0.0962
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0646	0.5
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0646	0.0664
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0646	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0406	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.002	0.003	0.0016
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0646	0.0618
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0684	1
Schistosoma mansoni	nAChR subunit	0.002	0.003	0.0023
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0643	0.063
Brugia malayi	Cation transporter family protein	0.002	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.002	0.003	0.003
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.002	0.003	0.003
Mycobacterium ulcerans	lipase LipD	0.0037	0.0646	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0646	0.0664
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0406	0.5474
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0035	0.0565	0.0562
Schistosoma mansoni	ap endonuclease	0.0023	0.0115	0.0145
Onchocerca volvulus		0.0035	0.0565	0.3762
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0646	0.0664
Trichomonas vaginalis	esterase, putative	0.0037	0.0646	0.934
Schistosoma mansoni	hypothetical protein	0.0058	0.1451	0.2064
Brugia malayi	PHD-finger family protein	0.0025	0.0219	0.0219
Echinococcus multilocularis	para nitrobenzyl esterase	0.0035	0.0565	0.0551
Brugia malayi	hypothetical protein	0.003	0.0406	0.0406
Schistosoma mansoni	hypothetical protein	0.0205	0.6956	0.9971
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0646	0.934
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.0684	0.0962
Echinococcus granulosus	nAChR subunit	0.002	0.003	0.0016
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Brugia malayi	Carboxylesterase family protein	0.0035	0.0565	0.0565
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0646	0.934
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.0684	0.067
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.002	0.003	0.0023
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0646	0.0664
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0646	0.0664
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0646	0.0618
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0646	0.934
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0684	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0646	0.0646
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0646	0.0664
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.0684	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.811	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Echinococcus multilocularis	acetylcholinesterase	0.0205	0.6977	0.6972
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0035	0.0565	0.0551
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0646	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0565	0.0536
Brugia malayi	Bromodomain containing protein	0.0077	0.2146	0.2146
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0128	0.0164
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0565	0.0791
Echinococcus multilocularis	acetylcholinesterase	0.0205	0.6977	0.6972
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.003	0.0016
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.002	0.003	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0643	0.063
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0684	0.067
Echinococcus multilocularis	geminin	0.0205	0.6956	0.6952
Onchocerca volvulus		0.0037	0.0646	0.4334
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.002	0.003	0.0016
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0115	0.0101
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1695	0.2415
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.1558	0.1546
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.003	0.003
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.002	0.003	0.0016
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0684	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0406	0.5112
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.002	0.003	0.0016
Mycobacterium ulcerans	carboxylesterase, LipT	0.0035	0.0565	0.8468
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.0684	0.067
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.002	0.003	0.0016
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.002	0.003	0.0016
Schistosoma mansoni	acetylcholinesterase	0.0035	0.0565	0.0791
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0646	0.0618
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0406	0.5474
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0684	0.067
Echinococcus granulosus	BC026374 protein S09 family	0.0035	0.0565	0.0551
Echinococcus granulosus	carboxylesterase 5A	0.0205	0.6977	0.6972
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.002	0.003	0.003
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0646	1
Loa Loa (eye worm)	carboxylesterase	0.0205	0.6977	0.6968
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.003	0.0023
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0055	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0646	0.934
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0646	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0646	0.0633
Echinococcus granulosus	acetylcholinesterase	0.0205	0.6977	0.6972
Loa Loa (eye worm)	hypothetical protein	0.0205	0.6977	0.6968
Echinococcus granulosus	glycine receptor subunit beta	0.002	0.003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.002	0.003	0.0016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0646	0.0908
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0115	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0406	0.5112
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.002	0.003	0.0016
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0646	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0684	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.6964 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)	4.4668 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 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)	15.8489 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN 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 MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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)	31.6228 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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)	37.6858 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1502428

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1375361