TDR Targets

Basic information

Technical information

TDR Targets ID: 258269
Name: [3-[2-(prop-2-ynylamino)propyl]phenyl] N-meth yl-N-propylcarbamate
MW: 288.385 | Formula: C17H24N2O2
H donors: 1 H acceptors: 1 LogP: 2.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(C(=O)Oc1cccc(c1)CC(NCC#C)C)C
InChi: 1S/C17H24N2O2/c1-5-10-18-14(3)12-15-8-7-9-16(13-15)21-17(20)19(4)11-6-2/h1,7-9,13-14,18H,6,10-12H2,2-4H3
InChiKey: RCRBGLVNYDDALK-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-[2-(prop-2-ynylamino)propyl]phenyl] N-methyl-N-propyl-carbamate
N-methyl-N-propylcarbamic acid [3-[2-(prop-2-ynylamino)propyl]phenyl] ester
N-methyl-N-propyl-carbamic acid [3-[2-(propargylamino)propyl]phenyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Monoamine oxidase B	Starlite/ChEMBL	References
Rattus norvegicus	Monoamine oxidase A	Starlite/ChEMBL	References
Equus caballus	Butyrylcholinesterase	Starlite/ChEMBL	References
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	Get druggable targets OG5_130722	All targets in OG5_130722
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Butyrylcholinesterase	602 aa	547 aa	29.4 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	531 aa	23.2 %
Brugia malayi	Carboxylesterase family protein	Butyrylcholinesterase	602 aa	549 aa	29.5 %
Echinococcus granulosus	neuroligin	Butyrylcholinesterase	602 aa	492 aa	24.2 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Butyrylcholinesterase	602 aa	560 aa	29.3 %
Onchocerca volvulus		Butyrylcholinesterase	602 aa	578 aa	25.4 %
Onchocerca volvulus	Mitochondrial fission process protein 1 homolog	Monoamine oxidase B	520 aa	469 aa	22.0 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Butyrylcholinesterase	602 aa	554 aa	35.9 %
Schistosoma mansoni	gliotactin	Butyrylcholinesterase	602 aa	587 aa	28.1 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Butyrylcholinesterase	602 aa	590 aa	25.3 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Butyrylcholinesterase	602 aa	636 aa	34.9 %
Loa Loa (eye worm)	hypothetical protein	Butyrylcholinesterase	602 aa	574 aa	26.3 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	538 aa	21.0 %
Brugia malayi	amine oxidase, flavin-containing family protein	Monoamine oxidase B	520 aa	479 aa	21.7 %
Dictyostelium discoideum	amine oxidase	Monoamine oxidase B	520 aa	489 aa	29.0 %
Loa Loa (eye worm)	hypothetical protein	Butyrylcholinesterase	602 aa	573 aa	26.2 %
Onchocerca volvulus	Putative nuclear protein	Butyrylcholinesterase	602 aa	573 aa	41.4 %
Echinococcus multilocularis	neuroligin	Butyrylcholinesterase	602 aa	493 aa	26.0 %
Onchocerca volvulus		Butyrylcholinesterase	602 aa	551 aa	30.1 %
Echinococcus granulosus	BC026374 protein S09 family	Butyrylcholinesterase	602 aa	649 aa	34.2 %
Onchocerca volvulus		Butyrylcholinesterase	602 aa	587 aa	27.1 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	539 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.1973	1
Plasmodium vivax	hypothetical protein, conserved	0.0051	0.0331	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0051	0.0331	0.0357
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0146	0.1716	0.1852
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0165	0.0838
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0208	0.2858
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0146	0.1716	0.1716
Onchocerca volvulus		0.0051	0.0331	0.1065
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0233	0.2976	0.5603
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0449	0.0449
Trichomonas vaginalis	DNA polymerase eta, putative	0.0042	0.0208	0.0411
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0578	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0578	0.1582
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.1973	1
Schistosoma mansoni	amine oxidase	0.0051	0.0331	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1973	0.5402
Brugia malayi	SWIRM domain containing protein	0.0051	0.0331	0.0907
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0041	0.021
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.0449	0.1231
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0146	0.1716	0.2934
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0717	1	1
Chlamydia trachomatis	transglycolase/transpeptidase	0.0651	0.9044	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0051	0.0331	0.0331
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.1973	0.5402
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0649	0.901	0.901
Brugia malayi	Carboxylesterase family protein	0.0164	0.1973	0.5402
Toxoplasma gondii	histone lysine-specific demethylase	0.0051	0.0331	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0051	0.0331	0.1679
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0449	0.0449
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0051	0.0331	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0134	0.154	0.154
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0041	0.0114
Plasmodium vivax	hypothetical protein, conserved	0.0051	0.0331	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0051	0.0331	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0121	0.1348	0.683
Brugia malayi	hypothetical protein	0.0051	0.0331	0.0907
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0208	0.0208
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0025	0.0128
Onchocerca volvulus		0.0085	0.0832	0.2673
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0051	0.0331	0.0907
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.1973	1
Echinococcus multilocularis	dna polymerase kappa	0.0042	0.0208	0.1053
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0376	0.5051	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0449	0.2278
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0578	0.2928
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0051	0.0331	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Echinococcus granulosus	L aminoadipate semialdehyde	0.0085	0.0832	0.4215
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0041	0.0114
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0134	0.154	0.256
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1973	0.5402
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0051	0.0331	0.3339
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0376	0.5051	0.2188
Brugia malayi	amine oxidase, flavin-containing family protein	0.0051	0.0331	0.0907
Brugia malayi	Pre-SET motif family protein	0.0031	0.0041	0.0114
Mycobacterium ulcerans	oxidoreductase	0.0051	0.0331	0.0331
Trichomonas vaginalis	conserved hypothetical protein	0.0376	0.5051	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.3933	0.7786
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0121	0.1348	0.683
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0251	0.3245	0.6174
Schistosoma mansoni	amine oxidase	0.0051	0.0331	0.0907
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0369	0.4951	0.9787
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0578	0.1582
Schistosoma mansoni	lipoxygenase	0.0121	0.1348	0.369
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0125	0.1405	0.1516
Chlamydia trachomatis	transglycolase/transpeptidase	0.0367	0.4916	0.5263
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0578	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0051	0.0331	0.5
Plasmodium falciparum	protoporphyrinogen oxidase	0.0051	0.0331	0.5
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0578	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.0392	0.1074
Mycobacterium ulcerans	glutaminase	0.028	0.3652	0.3652
Brugia malayi	Carboxylesterase family protein	0.0164	0.1973	0.5402
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0051	0.0331	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0578	0.2928
Onchocerca volvulus		0.0242	0.3111	1
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0251	0.3245	0.3502
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.1973	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0041	0.0114
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0369	0.4951	0.4951
Trypanosoma brucei	DNA polymerase IV, putative	0.0035	0.011	0.0969
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0165	0.0838
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0651	0.9044	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0085	0.0832	0.4215
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0051	0.0331	0.1679
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0085	0.0832	0.2277
Echinococcus granulosus	acetylcholinesterase	0.0164	0.1973	1
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0251	0.3245	0.3245
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0649	0.901	0.9933
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0051	0.0331	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0051	0.0331	0.3339
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0051	0.0331	0.1679
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0578	1
Onchocerca volvulus		0.0031	0.0041	0.0133
Mycobacterium ulcerans	dehydrogenase	0.0051	0.0331	0.0331
Schistosoma mansoni	lipoxygenase	0.0084	0.0821	0.2249
Brugia malayi	glutaminase DH11.1	0.028	0.3652	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.3933	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0578	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0832	0.2277
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0051	0.0331	0.0357
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0369	0.4951	0.5342
Echinococcus granulosus	acetylcholinesterase	0.0164	0.1973	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2685	0.7351
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0208	0.2858
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0134	0.154	0.1661
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.3933	1
Trichomonas vaginalis	glutaminase, putative	0.028	0.3652	0.7231
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.0449	0.4797
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0449	0.2278
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0085	0.0832	0.2277
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0041	0.021
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0208	0.2858
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.0449	0.0485
Echinococcus granulosus	dna polymerase kappa	0.0042	0.0208	0.1053
Loa Loa (eye worm)	glutaminase	0.028	0.3652	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0041	0.0114
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0041	0.021
Giardia lamblia	Fructose-bisphosphate aldolase	0.0299	0.3933	0.5
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0376	0.5051	0.5051
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0651	0.9044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.006	0.0164
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.1973	0.5402
Trypanosoma brucei	unspecified product	0.0035	0.011	0.0969
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0051	0.0331	0.1679
Brugia malayi	Pre-SET motif family protein	0.0213	0.2685	0.7351
Echinococcus multilocularis		0.0051	0.0331	0.1679
Loa Loa (eye worm)	carboxylesterase	0.0164	0.1973	0.5402
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.3111	0.616
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0667	0.9268	1
Brugia malayi	polk-prov protein	0.0032	0.006	0.0164
Loa Loa (eye worm)	glutaminase 2	0.028	0.3652	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0331	0.0907
Schistosoma mansoni	glutaminase	0.028	0.3652	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.0449	0.1231
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0042	0.0208	0.0411
Mycobacterium ulcerans	DNA polymerase IV	0.0042	0.0208	0.0208
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0233	0.2976	0.3211
Mycobacterium ulcerans	monoamine oxidase	0.0051	0.0331	0.0331
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0041	0.0114

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.17 uM	In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.08-0.38	ChEMBL.	12431053
IC50 (binding)	= 0.17 uM	In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.08-0.38	ChEMBL.	12431053
IC50 (binding)	= 2.07 uM	In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.19-8.56	ChEMBL.	12431053
IC50 (binding)	= 2.07 uM	In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.19-8.56	ChEMBL.	12431053
IC50 (binding)	= 14.6 uM	In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 12.1-17.6	ChEMBL.	12431053
IC50 (binding)	= 14.6 uM	In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 12.1-17.6	ChEMBL.	12431053
IC50 (binding)	= 19.1 uM	In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 13.6-27.3	ChEMBL.	12431053
IC50 (binding)	= 19.1 uM	In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 13.6-27.3	ChEMBL.	12431053
Ratio (binding)	= 9.2	Ratio of the IC50 value against AChE of human erythrocytes to that of BuChE of horse serum	ChEMBL.	12431053

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: CHEMBL151922
PubChem: 11110155

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 258269