TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.489 | Formula: C24H27N3O3
H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@H](Cc1ccc(cc1)c1ccc(c(c1)OC)OC)NC(=O)[C@H]1N[C@H]2C[C@@H]1CC2
InChi: 1S/C24H27N3O3/c1-29-21-10-8-17(13-22(21)30-2)16-5-3-15(4-6-16)11-20(14-25)27-24(28)23-18-7-9-19(12-18)26-23/h3-6,8,10,13,18-20,23,26H,7,9,11-12H2,1-2H3,(H,27,28)/t18-,19+,20-,23-/m0/s1
InChiKey: QSGXYOLJUABHIJ-SRYPRDQNSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	preprocathepsin c precursor	Get druggable targets OG5_130494	All targets in OG5_130494
Theileria parva	cathepsin C, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Theileria parva	cathepsin C, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium berghei	dipeptidyl aminopeptidase 1, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium berghei	dipeptidyl aminopeptidase 2	Get druggable targets OG5_130494	All targets in OG5_130494
Giardia lamblia	Dipeptidyl-peptidase I precursor	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium yoelii	cathepsin c precursor	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium yoelii	Homo sapiens P3ECSL-related	Get druggable targets OG5_130494	All targets in OG5_130494
Cryptosporidium parvum	preprocathepsin c precursor, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Toxoplasma gondii	preprocathepsin c precursor, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Neospora caninum	hypothetical protein	Get druggable targets OG5_130494	All targets in OG5_130494
Toxoplasma gondii	cathepsin CPC1	Get druggable targets OG5_130494	All targets in OG5_130494
Babesia bovis	cathepsin C precursor, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium knowlesi	dipeptidyl aminopeptidase 1, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Schistosoma japonicum	Cathepsin C precursor, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Schistosoma japonicum	ko:K01275 cathepsin C [EC3.4.14.1], putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium knowlesi	dipeptidyl aminopeptidase 2, putative	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium falciparum	dipeptidyl aminopeptidase 1	Get druggable targets OG5_130494	All targets in OG5_130494
Plasmodium falciparum	dipeptidyl aminopeptidase 2	Get druggable targets OG5_130494	All targets in OG5_130494
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	Get druggable targets OG5_130494	All targets in OG5_130494
Babesia bovis	preprocathepsin c precursor, putative	Get druggable targets OG5_130494	All targets in OG5_130494

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	cathepsin C	141 aa	152 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	regulator of G protein signaling 7	0.0023	0.0078	0.0078
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.023	0.4868	0.6922
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0377	0.0536
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0087	0.1562	0.3209
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0033	0.0301	0.0494
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.023	0.4868	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.002	0	0.5
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.002	0	0.5
Leishmania major	alpha glucosidase II subunit, putative	0.0033	0.0301	0.1973
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0023	0.0084	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Trypanosoma cruzi	polo-like protein kinase, putative	0.0086	0.1528	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0086	0.1528	0.1528
Echinococcus granulosus	axis inhibition protein axin	0.0023	0.0078	0.0078
Schistosoma mansoni	z-protein (S1r protein)	0.0023	0.0078	0.0111
Plasmodium falciparum	glutathione reductase	0.0057	0.0866	0.1778
Trichomonas vaginalis	alpha-glucosidase, putative	0.0033	0.0301	0.0488
Echinococcus granulosus	axis inhibition protein axin	0.0023	0.0078	0.0078
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0033	0.0301	0.0619
Echinococcus multilocularis	regulator of G protein signaling 3	0.0023	0.0078	0.0078
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0023	0.0078	0.0111
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0377	0.0536
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0301	0.1973
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0033	0.0301	0.0301
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0131	0.2563	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0976	0.1075
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0902	0.0987
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0377	0.0377
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0057	0.0866	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0384	0.843	1
Echinococcus granulosus	small conductance calcium activated potassium	0.0193	0.4001	0.4001
Schistosoma mansoni	axis inhibition protein axin	0.0023	0.0078	0.0111
Toxoplasma gondii	cathepsin CPC2	0.0087	0.1562	0.3209
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0252	0.5373	0.6339
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0145	0.29	1
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.1528	0.2173
Echinococcus granulosus	neutral alpha glucosidase AB	0.0033	0.0301	0.0301
Brugia malayi	Thioredoxin reductase	0.0057	0.0866	0.142
Brugia malayi	serine/threonine-protein kinase plk-2	0.0086	0.1528	0.2506
Loa Loa (eye worm)	thioredoxin reductase	0.0057	0.0866	0.0943
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0033	0.0301	0.1541
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0023	0.0078	0.0126
Toxoplasma gondii	cathepsin CPC1	0.023	0.4868	1
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0023	0.0084	0.0084
Brugia malayi	regulator of G-protein signaling rgs-7	0.0023	0.0078	0.0128
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.002	0	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0057	0.0866	0.5666
Plasmodium vivax	thioredoxin reductase, putative	0.0057	0.0866	0.1778
Trichomonas vaginalis	set domain proteins, putative	0.0287	0.6178	1
Leishmania major	trypanothione reductase	0.0057	0.0866	0.5666
Schistosoma mansoni	alpha-glucosidase	0.0127	0.2491	0.3542
Trichomonas vaginalis	CAMK family protein kinase	0.0043	0.0525	0.0849
Trichomonas vaginalis	alpha-glucosidase, putative	0.0033	0.0301	0.0488
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Plasmodium vivax	SET domain protein, putative	0.0036	0.0377	0.0775
Onchocerca volvulus		0.0086	0.1523	0.1976
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0023	0.0078	0.0078
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0086	0.1528	1
Schistosoma mansoni	alpha-glucosidase	0.0127	0.2491	0.3542
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0145	0.29	1
Brugia malayi	Pre-SET motif family protein	0.0252	0.5373	0.8811
Schistosoma mansoni	alpha glucosidase	0.0033	0.0301	0.0429
Trichomonas vaginalis	CAMK family protein kinase	0.0043	0.0525	0.0849
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Trypanosoma brucei	trypanothione reductase	0.0057	0.0866	0.5666
Trichomonas vaginalis	alpha-glucosidase, putative	0.0033	0.0301	0.0488
Brugia malayi	PXA domain containing protein	0.0023	0.0078	0.0128
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0148	0.2969	0.4869
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0023	0.0078	0.0128
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0084	0.012
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Brugia malayi	PXA domain containing protein	0.0023	0.0078	0.0128
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0078	0.0111
Brugia malayi	Pre-SET motif family protein	0.0036	0.0377	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0377	0.0358
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0033	0.0301	0.1541
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0078	0.0111
Plasmodium falciparum	thioredoxin reductase	0.0057	0.0866	0.1778
Schistosoma mansoni	hypothetical protein	0.0324	0.7033	1
Schistosoma mansoni	kinase	0.0044	0.0551	0.0783
Echinococcus granulosus	regulator of G protein signaling 3	0.0023	0.0078	0.0078
Echinococcus granulosus	regulator of G protein signaling 7	0.0023	0.0078	0.0078
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0377	0.0377
Brugia malayi	hypothetical protein	0.0147	0.2952	0.4841
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0145	0.29	1
Echinococcus multilocularis	geminin	0.0324	0.7033	0.7033
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.023	0.4868	1
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0023	0.0078	0.0111
Trypanosoma cruzi	polo-like protein kinase, putative	0.0086	0.1528	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0087	0.1562	0.3209
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0143	0.2847	0.4608
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0084	0.012
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0078	0.0111
Echinococcus multilocularis	small conductance calcium activated potassium	0.0193	0.4001	0.4001
Trypanosoma brucei	glucosidase, putative	0.0033	0.0301	0.1973
Trichomonas vaginalis	alpha-glucosidase, putative	0.0033	0.0301	0.0488
Schistosoma mansoni	hypothetical protein	0.0193	0.4001	0.5689
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0033	0.0301	0.0268
Trypanosoma brucei	polo-like protein kinase	0.0086	0.1528	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.023	0.4868	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0377	0.0536
Schistosoma mansoni	axis inhibition protein axin	0.0023	0.0078	0.0111
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0086	0.1528	0.1736
Echinococcus multilocularis	regulator of G protein signaling 3	0.0023	0.0078	0.0078
Echinococcus granulosus	lysosomal alpha glucosidase	0.0148	0.2969	0.2969
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0131	0.2563	0.8837
Toxoplasma gondii	thioredoxin reductase	0.0057	0.0866	0.1778
Mycobacterium tuberculosis	Probable reductase	0.0131	0.2563	0.8837
Echinococcus granulosus	regulator of G protein signaling 3	0.0023	0.0078	0.0078
Onchocerca volvulus		0.0287	0.6178	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.002	0	0.5
Echinococcus granulosus	geminin	0.0324	0.7033	0.7033
Schistosoma mansoni	hypothetical protein	0.0324	0.7033	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0087	0.1562	0.3209
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0033	0.0301	0.0488
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.6097	0.7207
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0023	0.0084	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0084	0.012
Brugia malayi	glutathione reductase	0.0057	0.0866	0.142
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0023	0.0084	0.0008
Brugia malayi	hypothetical protein	0.0023	0.0078	0.0128
Echinococcus multilocularis	expressed protein	0.0452	1	1
Giardia lamblia	Encystation-specific protease	0.0087	0.1562	0.3209
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Trichomonas vaginalis	alpha-glucosidase, putative	0.0033	0.0301	0.0488
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0023	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0078	0.0111
Schistosoma mansoni	calcium-activated potassium channel	0.0193	0.4001	0.5689
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0023	0.0078	0.0078
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0347	0.0347
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0033	0.0301	0.0488
Mycobacterium tuberculosis	Probable oxidoreductase	0.0145	0.29	1
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0023	0.0084	0.0008
Echinococcus granulosus	thioredoxin glutathione reductase	0.0057	0.0866	0.0866
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.6097	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.023	0.4868	1
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473
Loa Loa (eye worm)	glutathione reductase	0.0057	0.0866	0.0943
Brugia malayi	hypothetical protein	0.0023	0.0078	0.0128
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0377	0.0377
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0087	0.1562	0.3209
Echinococcus multilocularis	axis inhibition protein axin	0.0023	0.0078	0.0078
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0148	0.2969	0.2969
Schistosoma mansoni	calcium-activated potassium channel	0.0124	0.2419	0.3439
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0377	0.0775
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0023	0.0078	0.0128
Echinococcus multilocularis	regulator of G protein signaling 7	0.0023	0.0078	0.0078
Plasmodium vivax	glutathione reductase, putative	0.0057	0.0866	0.1778
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0301	0.1973
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.023	0.4868	1
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0023	0.0078	0.0111
Mycobacterium tuberculosis	Probable dehydrogenase	0.0131	0.2563	0.8837
Treponema pallidum	NADH oxidase	0.002	0	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0078	0.0111
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0131	0.2563	0.8837
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.002	0	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0033	0.0301	0.0488
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0086	0.1528	1
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.023	0.4868	1
Brugia malayi	A-kinase anchor protein 10, precursor	0.0023	0.0078	0.0128
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.002	0	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0033	0.0301	0.0488
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0057	0.0866	0.2985
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0078	0.0126
Brugia malayi	regulator of G-protein signaling egl-10	0.0023	0.0078	0.0128
Giardia lamblia	Kinase, PLK	0.0086	0.1528	0.3139
Loa Loa (eye worm)	hypothetical protein	0.0193	0.4001	0.4697
Echinococcus granulosus	Regulator of G protein signaling 20	0.0023	0.0078	0.0078
Echinococcus multilocularis	axis inhibition protein axin	0.0023	0.0078	0.0078
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0377	0.0536
Echinococcus granulosus	regulator of G protein signaling 7	0.0023	0.0078	0.0078
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0086	0.1528	0.1984
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1058	0.1173
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0148	0.2969	0.2969
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0148	0.2969	0.3461
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0086	0.1528	0.1528
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0131	0.2563	0.8837
Echinococcus multilocularis	regulator of G protein signaling	0.0023	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0086	0.1528	0.2473

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 18 nM	BindingDB_Patents: Inhibition Assay. The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH 6.0 with HCl. Assay Conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM).	ChEMBL.	No reference

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: CHEMBL3658531

Bibliographic References

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Detailed information for compound 1987736