TDR Targets

Basic information

Technical information

TDR Targets ID: 1727081
Name: N-[4-[2-[4-(diaminomethylideneamino)phenyl]et hyl]-1,3-thiazol-2-yl]acetamide
MW: 303.383 | Formula: C14H17N5OS
H donors: 3 H acceptors: 2 LogP: 1.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)Nc1ccc(cc1)CCc1csc(n1)NC(=O)C
InChi: 1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
InChiKey: LMDXCMJWFMSUAI-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-[4-[2-(4-guanidinophenyl)ethyl]thiazol-2-yl]acetamide
N-[4-[2-(4-guanidinophenyl)ethyl]-2-thiazolyl]acetamide
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Amine oxidase, copper containing	Starlite/ChEMBL	References
Homo sapiens	amine oxidase, copper containing 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	extracellular protein with a signal peptide sequence, MAM domain and a Cu amine oxidase domain	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely peroxisomal copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Cryptosporidium hominis	amiloride binding protein 1	Get druggable targets OG5_127171	All targets in OG5_127171
Schistosoma japonicum	IPR000269,Copper amine oxidase,domain-containing	Get druggable targets OG5_127171	All targets in OG5_127171
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Schistosoma japonicum	ko:K00276 copper amine oxidase [EC1.4.3.6], putative	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Echinococcus multilocularis	amiloride sensitive amine oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Neospora caninum	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Echinococcus granulosus	amiloride sensitive amine oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Schistosoma mansoni	copper/topaquinone oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely peroxisomal copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.04	0.1172
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0292	0.9545	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0202	0.0508
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0113	0.3436	0.3386
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0091	0.2675	0.2646
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0202	0.6461	0.6445
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0292	0.9545	0.9541
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0024	0.04	0.1172
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0202	0.0081
Loa Loa (eye worm)	fatty acid synthase	0.0023	0.0389	0.0346
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0292	0.9545	1
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0292	0.9545	1
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0594	0.0419
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0101	0.3023	0.302
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0234	0.016
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0191	0.6112	0.6083
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.0265	0.0719
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0091	0.2675	0.2646
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0017	0.0172	0.0407
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0292	0.9545	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium ulcerans	polyketide synthase	0.0025	0.045	0.0344
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0019	0.0242	0.0123
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.0265	0.0479
Mycobacterium ulcerans	thioesterase TesA	0.002	0.0265	0.0148
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0015	0.0116	0.0121
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0202	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0594	0.0552
Onchocerca volvulus		0.0029	0.0594	0.4414
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.04	0.1172
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0045	0.1125	0.1009
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0025	0.045	0.0344
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0202	0.6461	0.6445
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0025	0.045	0.1117
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0191	0.6112	0.6326
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0292	0.9545	0.5
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0024	0.04	0.0944
Echinococcus multilocularis	lamin	0.0029	0.0594	0.0523
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0025	0.045	0.1341
Onchocerca volvulus		0.0029	0.0594	0.4414
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0202	0.0128
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0292	0.9545	1
Schistosoma mansoni	lipoxygenase	0.0113	0.3436	0.3461
Echinococcus granulosus	RUN	0.0019	0.0234	0.016
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0057	0.0012
Onchocerca volvulus		0.0022	0.0347	0.1387
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0024	0.04	0.0944
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0101	0.3023	0.2933
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0019	0.0242	0.0399
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0202	0.0075
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0234	0.0034
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.04	0.0291
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0113	0.3436	0.3386
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0234	0.016
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0023	0.0375	0.1089
Toxoplasma gondii	exonuclease III APE	0.0018	0.0202	0.0212
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0022	0.0347	0.0994
Echinococcus multilocularis	RUN	0.0019	0.0234	0.016
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.04	0.0291
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0191	0.6112	0.6095
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0234	0.016
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.0191	0.6107	0.632
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0234	0.016
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0292	0.9545	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0234	0.016
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0191	0.6107	0.632
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0594	0.0552
Mycobacterium ulcerans	polyketide synthase Pks13	0.0035	0.08	0.0716
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0025	0.045	0.1117
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.04	0.0291
Echinococcus granulosus	amiloride sensitive amine oxidase	0.0206	0.6616	0.659
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0594	0.0552
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0191	0.6112	0.6326
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0292	0.9545	1
Echinococcus granulosus	lamin dm0	0.0029	0.0594	0.0523
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0292	0.9545	1
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0292	0.9545	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0292	0.9545	0.9541
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0576	0.0534
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0234	0.016
Echinococcus granulosus	intermediate filament protein	0.0029	0.0594	0.0523
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0292	0.9545	1
Brugia malayi	hypothetical protein	0.0019	0.0234	0.0107
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Schistosoma mansoni	hypothetical protein	0.0206	0.6616	0.6865
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0025	0.045	0.0344
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0234	0.019
Schistosoma mansoni	rab6-interacting	0.0019	0.0234	0.0034
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0292	0.9545	1
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0234	0.0034
Brugia malayi	Doublecortin family protein	0.0019	0.0234	0.0107
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0292	0.9545	0.9541
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0292	0.9545	1
Toxoplasma gondii	hypothetical protein	0.0104	0.314	0.3289
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0594	0.0472
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0091	0.2675	0.2646
Echinococcus multilocularis	musashi	0.0029	0.0594	0.0523
Mycobacterium ulcerans	thioesterase	0.002	0.0265	0.0148
Echinococcus granulosus	lamin	0.0029	0.0594	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0234	0.019
Schistosoma mansoni	loxhd1	0.0019	0.0234	0.0034
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0023	0.0375	0.1089
Schistosoma mansoni	rab6-interacting	0.0019	0.0234	0.0034
Schistosoma mansoni	copper/topaquinone oxidase	0.0206	0.6616	0.6865
Echinococcus multilocularis	lamin dm0	0.0029	0.0594	0.0523
Toxoplasma gondii	type I fatty acid synthase, putative	0.0025	0.045	0.0472
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0191	0.6107	0.632
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0128	0.0084
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0292	0.9545	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Loa Loa (eye worm)	hypothetical protein	0.0191	0.6112	0.6095
Brugia malayi	hypothetical protein	0.0019	0.0234	0.0107
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0025	0.045	0.1341
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0234	0.019
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0075	0.0031
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0292	0.9545	1
Schistosoma mansoni	lipoxygenase	0.0079	0.2279	0.2223
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0292	0.9545	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0057	0.0012
Mycobacterium leprae	Polyketide synthase Pks13	0.0035	0.08	0.2322
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0292	0.9545	0.9541
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0191	0.6107	0.632
Toxoplasma gondii	type I fatty acid synthase, putative	0.0017	0.0167	0.0175
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0024	0.04	0.0275
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0019	0.0253	0.0677
Schistosoma mansoni	lamin	0.0029	0.0594	0.0419
Mycobacterium ulcerans	polyketide synthase	0.0024	0.04	0.0291
Onchocerca volvulus		0.0041	0.0999	0.9384
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0191	0.6107	0.632
Echinococcus multilocularis	amiloride sensitive amine oxidase	0.0206	0.6616	0.659
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0019	0.0242	0.0123
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0292	0.9545	1
Schistosoma mansoni	lamin	0.0029	0.0594	0.0419
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0091	0.2675	0.2646
Brugia malayi	intermediate filament protein	0.0029	0.0594	0.0472
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0292	0.9545	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.095	0.091
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0022	0.0347	0.0304
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.04	0.0291
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0025	0.045	0.1341
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0191	0.6112	0.6083
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0292	0.9545	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0035	0.08	0.2516
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0101	0.3029	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0035	0.08	0.2516
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0101	0.3029	1
Onchocerca volvulus	Fatty acid synthase homolog	0.0043	0.1049	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0025	0.045	0.1117
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0292	0.9545	1
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0091	0.2675	0.2579
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0292	0.9545	0.9539
Schistosoma mansoni	hypothetical protein	0.0019	0.0234	0.0034
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.0347	0.0221
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative	0.0091	0.2675	0.2646
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0191	0.6112	0.6095
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0202	0.0159
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0292	0.9545	1
Schistosoma mansoni	polycystin 1-related	0.0019	0.0234	0.0034

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.014 uM	Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrophotometric analysis	ChEMBL.	23337801
IC50 (binding)	= 0.014 uM	Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis	ChEMBL.	23664164
IC50 (binding)	= 0.23 uM	Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrophotometric analysis	ChEMBL.	23337801
IC50 (binding)	= 0.23 uM	Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis	ChEMBL.	23664164
IC50 (binding)	= 60 uM	Inhibition of human recombinant MAO-B using benzylamine as substrate after 1 hr by fluorometric assay	ChEMBL.	23664164
IC50 (binding)	= 75 uM	Inhibition of rat liver DAO using putrescine as substrate after 1 hr by fluorometric assay	ChEMBL.	23337801
IC50 (binding)	> 100 uM	Inhibition of human MAOB expressed in CHO cells using benzylamine as substrate after 1 hr by fluorometric assay	ChEMBL.	23337801
IC50 (binding)	> 100 uM	Inhibition of human DAO expressed in CHO cells using putrescine as substrate after 1 hr by fluorometric assay	ChEMBL.	23337801
IC50 (binding)	> 100 uM	Inhibition of human recombinant MAO-A using 5-hydroxytryptamine as substrate after 1 hr by fluorometric assay	ChEMBL.	23664164

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: CHEMBL2326864

Bibliographic References

2 literature references were 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 1727081