TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.39 | Formula: C19H22N2O3
H donors: 2 H acceptors: 3 LogP: 1.97 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OCN(C(C(=O)NCc1ccccc1)Cc1ccccc1)C(=O)C
InChi: 1S/C19H22N2O3/c1-15(23)21(14-22)18(12-16-8-4-2-5-9-16)19(24)20-13-17-10-6-3-7-11-17/h2-11,18,22H,12-14H2,1H3,(H,20,24)
InChiKey: LQCCTTRZAHZHEQ-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	cyclins, putative	0.0054	0.0093	0.0342
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclin b3	0.0223	0.1313	0.2183
Echinococcus multilocularis	cyclin	0.0054	0.0093	0.0154
Schistosoma mansoni	hypothetical protein	0.0054	0.0093	0.0154
Giardia lamblia	G2/mitotic-specific cyclin B	0.03	0.1876	1
Echinococcus granulosus	cyclin B	0.03	0.1876	0.3118
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0054	0.0093	0.0154
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Brugia malayi	jmjC domain containing protein	0.0099	0.0417	0.0692
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0415	0.2707	0.2639
Trichomonas vaginalis	cyclin D, putative	0.0054	0.0093	0.0342
Echinococcus granulosus	cyclin A3 4	0.0054	0.0093	0.0154
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1424	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0076	0.0127
Loa Loa (eye worm)	cyclin C	0.0054	0.0093	0.0154
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.0409	0.068
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Brugia malayi	Cyclin, N-terminal domain containing protein	0.03	0.1876	0.3118
Brugia malayi	thymidylate synthase	0.0873	0.6015	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0404	0.0672
Trypanosoma cruzi	cyclin 6, putative	0.03	0.1876	0.18
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0393	0.0654
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0007	0.0012
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Entamoeba histolytica	cyclin family protein	0.0223	0.1313	0.6845
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0417	0.0692
Mycobacterium tuberculosis	Hypothetical protein	0.0415	0.2707	0.4352
Echinococcus multilocularis	cyclin y	0.0054	0.0093	0.0154
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0054	0.0093	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0267	0.0444
Trichomonas vaginalis	cyclins, putative	0.03	0.1876	0.693
Echinococcus granulosus	cyclins	0.0223	0.1313	0.2183
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0045	0.0076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0045	0.0076
Echinococcus granulosus	thymidylate synthase	0.0873	0.6015	1
Echinococcus granulosus	dihydrofolate reductase	0.0762	0.5214	0.8668
Echinococcus granulosus	cyclin y	0.0054	0.0093	0.0154
Giardia lamblia	Cyclin A	0.0223	0.1313	0.6845
Schistosoma mansoni	kinase	0.005	0.0062	0.0104
Schistosoma mansoni	cyclin l	0.0054	0.0093	0.0154
Echinococcus multilocularis	cyclin A3 4	0.0054	0.0093	0.0154
Echinococcus granulosus	Cyclin L1	0.0054	0.0093	0.0154
Schistosoma mansoni	dihydrofolate reductase	0.0762	0.5214	0.8668
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Trichomonas vaginalis	cyclins, putative	0.0223	0.1313	0.4851
Onchocerca volvulus		0.03	0.1876	0.3011
Trichomonas vaginalis	cyclin B3, putative	0.0054	0.0093	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Echinococcus granulosus	cyclin B3 1	0.0223	0.1313	0.2183
Echinococcus multilocularis	cyclin B3 1	0.0223	0.1313	0.2183
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0097	0.0409	0.068
Echinococcus granulosus	cyclin t1	0.0054	0.0093	0.0154
Toxoplasma gondii	hypothetical protein	0.0169	0.0925	0.084
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0097	0.0409	0.068
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.1457	0.2218
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1424	1	1
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0054	0.0093	0.0154
Echinococcus multilocularis	cyclin b3	0.0223	0.1313	0.2183
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0093	0.0154
Loa Loa (eye worm)	dihydrofolate reductase	0.0762	0.5214	0.8668
Schistosoma mansoni	Cyclin fold protein	0.0054	0.0093	0.0154
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0762	0.5214	0.8633
Loa Loa (eye worm)	hypothetical protein	0.005	0.0067	0.0111
Schistosoma mansoni	cyclin G	0.0054	0.0093	0.0154
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0053	0.0196
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0097	0.0409	0.0534
Trichomonas vaginalis	cyclin A, putative	0.0054	0.0093	0.0342
Giardia lamblia	Kinase, PLK	0.0097	0.0409	0.1774
Brugia malayi	hypothetical protein	0.0054	0.0093	0.0154
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0054	0.0093	0.0154
Trichomonas vaginalis	cyclin B, putative	0.03	0.1876	0.693
Brugia malayi	cyclin fold protein 1 variant b	0.0054	0.0093	0.0154
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0045	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0077	0.0128
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0045	0.0076
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0076	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0093	0.0154
Trichomonas vaginalis	cyclins, putative	0.03	0.1876	0.693
Echinococcus multilocularis	cyclin k	0.0054	0.0093	0.0154
Echinococcus multilocularis	thymidylate synthase	0.0873	0.6015	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.0409	0.0319
Echinococcus granulosus	G1:S specific cyclin D1	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclin G2	0.0054	0.0093	0.0154
Schistosoma mansoni	cyclin B3	0.0571	0.3834	0.6374
Echinococcus multilocularis	conserved hypothetical protein	0.067	0.4544	0.7555
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Loa Loa (eye worm)	hypothetical protein	0.03	0.1876	0.3118
Mycobacterium ulcerans	thymidylate synthase	0.0873	0.6015	1
Brugia malayi	Dihydrofolate reductase	0.0762	0.5214	0.8668
Loa Loa (eye worm)	CYL-1 protein	0.0054	0.0093	0.0154
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0157	0.0261
Plasmodium falciparum	cyclin	0.0223	0.1313	0.1232
Echinococcus multilocularis	cyclin y	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclins	0.0223	0.1313	0.2183
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0076	0.0127
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0157	0.0065
Trichomonas vaginalis	cyclins, putative	0.0054	0.0093	0.0342
Schistosoma mansoni	cyclin k	0.0054	0.0093	0.0154
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.03	0.1876	0.18
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0097	0.0409	0.1774
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0762	0.5214	0.8633
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0417	0.0692
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.0393	0.0654
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1424	1	1
Trichomonas vaginalis	cyclin B, putative	0.0054	0.0093	0.0342
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0157	0.0261
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Entamoeba histolytica	cyclin, putative	0.03	0.1876	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.0393	0.0654
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1424	1	1
Trichomonas vaginalis	cyclins, putative	0.0132	0.0655	0.242
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0093	0.0342
Echinococcus multilocularis	Cyclin L1	0.0054	0.0093	0.0154
Trichomonas vaginalis	cyclins, putative	0.03	0.1876	0.693
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Echinococcus multilocularis	cyclin t1	0.0054	0.0093	0.0154
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0093	0.0342
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0045	0.0076
Loa Loa (eye worm)	thymidylate synthase	0.0873	0.6015	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0153	0.0255
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0007	0.0012
Trichomonas vaginalis	cyclin D, putative	0.0223	0.1313	0.4851
Echinococcus multilocularis	expressed conserved protein	0.009	0.0352	0.0584
Trichomonas vaginalis	cyclin B, putative	0.03	0.1876	0.693
Trichomonas vaginalis	cyclin A, putative	0.03	0.1876	0.693
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Entamoeba histolytica	cyclin, putative	0.0223	0.1313	0.6845
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.0409	0.0319
Echinococcus granulosus	expressed conserved protein	0.009	0.0352	0.0584
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0571	0.3834	0.6374
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Echinococcus granulosus	cyclin G2	0.0054	0.0093	0.0154
Echinococcus granulosus	hypothetical protein	0.0672	0.4561	0.7583
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Echinococcus granulosus	cyclins	0.0223	0.1313	0.2183
Brugia malayi	serine/threonine-protein kinase plk-2	0.0097	0.0409	0.068
Trichomonas vaginalis	cyclin B3, putative	0.0054	0.0093	0.0342
Leishmania major	cyclin	0.03	0.1876	0.18
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0873	0.6015	1
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0093	0.0342
Echinococcus multilocularis	cyclin G2	0.0054	0.0093	0.0154
Trichomonas vaginalis	cyclins, putative	0.03	0.1876	0.693
Echinococcus multilocularis	cyclin G2	0.0054	0.0093	0.0154
Trypanosoma brucei	polo-like protein kinase	0.0097	0.0409	0.0319
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0157	0.0261
Trichomonas vaginalis	conserved hypothetical protein	0.0223	0.1313	0.4851
Trypanosoma cruzi	cyclin, putative	0.03	0.1876	0.18
Schistosoma mansoni	cyclin d	0.0054	0.0093	0.0154
Trypanosoma cruzi	cyclin, putative	0.03	0.1876	0.18
Trypanosoma cruzi	CYC2-like cyclin, putative	0.03	0.1876	0.18
Echinococcus multilocularis	G1:S specific cyclin D1	0.0054	0.0093	0.0154
Entamoeba histolytica	cyclin family protein	0.0223	0.1313	0.6845
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclins	0.0223	0.1313	0.2183
Trichomonas vaginalis	cyclin B3, putative	0.0223	0.1313	0.4851
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1424	1	1
Brugia malayi	hypothetical protein	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclins	0.0054	0.0093	0.0154
Schistosoma mansoni	hypothetical protein	0.0054	0.0093	0.0154
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0873	0.6015	1
Echinococcus granulosus	cyclin y	0.0054	0.0093	0.0154
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclin	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclins	0.0223	0.1313	0.2183
Trichomonas vaginalis	cyclin B, putative	0.03	0.1876	0.693
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.027	0.0449
Chlamydia trachomatis	dihydrofolate reductase	0.0762	0.5214	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0415	0.2707	1
Trichomonas vaginalis	cyclin B, putative	0.0054	0.0093	0.0342
Giardia lamblia	Hypothetical protein	0.0223	0.1313	0.6845
Loa Loa (eye worm)	cyclin domain-containing protein	0.0571	0.3834	0.6374
Trichomonas vaginalis	cyclin B, putative	0.0223	0.1313	0.4851
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0045	0.0076
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.0393	0.1687
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0571	0.3834	0.6374
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0873	0.6015	1
Schistosoma mansoni	cyclin B	0.03	0.1876	0.3118
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0157	0.0065
Echinococcus multilocularis	cyclin B	0.03	0.1876	0.3118
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0571	0.3834	0.6374
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Trichomonas vaginalis	cyclin D, putative	0.0223	0.1313	0.4851
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0097	0.0409	0.0319
Brugia malayi	dihydrofolate reductase family protein	0.0762	0.5214	0.8668
Schistosoma mansoni	cyclins	0.0223	0.1313	0.2183
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0093	0.0342
Trypanosoma brucei	mitotic cyclin 6	0.03	0.1876	0.18
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0054	0.0093	0.0154
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0054	0.0093	0.0154
Echinococcus granulosus	cyclin k	0.0054	0.0093	0.0154
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Schistosoma mansoni	cyclin G2	0.0054	0.0093	0.0154
Brugia malayi	hypothetical protein	0.0415	0.2707	0.45
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Echinococcus multilocularis	dihydrofolate reductase	0.0762	0.5214	0.8668
Brugia malayi	Cyclin, N-terminal domain containing protein	0.03	0.1876	0.3118
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.0409	0.1511
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.0689	0.1145
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0097	0.0409	0.068
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0157	0.0261
Trichomonas vaginalis	cyclin B, putative	0.03	0.1876	0.693
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.0393	0.0654
Schistosoma mansoni	g1/s-specific cyclin C	0.0054	0.0093	0.0154
Loa Loa (eye worm)	hypothetical protein	0.03	0.1876	0.3118
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0054	0.0093	0.0154
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0045	0.0076
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0045	0.0076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0076	0.0127
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.0689	0.1145
Onchocerca volvulus		0.0873	0.6015	1
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0042	0.0069
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0045	0.0076
Loa Loa (eye worm)	cyclin domain-containing protein	0.0054	0.0093	0.0154
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0053	0.0196
Echinococcus multilocularis	cyclins	0.0223	0.1313	0.2183
Brugia malayi	Cyclin C	0.0054	0.0093	0.0154

Activities

Activity type	Activity value	Assay description	Source	Reference
T1/2 (ADMET)	= 63 min	Half life period of the compound in buffer solution at pH 7.4	ChEMBL.	No reference
T1/2 (ADMET)	= 63 min	Half life period of the compound in the presence of alpha-chymotrypsin at the concentration of 1.0 mg/mL	ChEMBL.	No reference
T1/2 (ADMET)	= 64 min	Half life period of the compound in the presence of alpha-chymotrypsin at the concentration of 0.5 mg/ml	ChEMBL.	No reference
T1/2 (ADMET)	= 65 min	Half life period of the compound in the presence of alpha-chymotrypsin at the concentration of 0.25 mg/ml	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 285217