TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.567 | Formula: C27H31N5O2
H donors: 2 H acceptors: 3 LogP: 3.24 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1cnccn1)Cc1cccc(c1)OC(CNC(=O)c1ccc2c(c1)c(C)c([nH]2)C)C
InChi: 1S/C27H31N5O2/c1-18(14-30-27(33)22-8-9-26-25(13-22)19(2)20(3)31-26)34-24-7-5-6-21(12-24)16-32(4)17-23-15-28-10-11-29-23/h5-13,15,18,31H,14,16-17H2,1-4H3,(H,30,33)
InChiKey: VCRBHLUSMPAITF-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
Brugia malayi	Disintegrin family protein	0.0055	0.0121	0.0132
Trypanosoma brucei	Metacaspase-4	0.0145	0.0876	0.1613
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0876	0.0861
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.0107	0.0185
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.0107	0.0185
Toxoplasma gondii	subtilisin SUB1	0.0174	0.1125	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0239	0.1665	0.2094
Schistosoma mansoni	dihydroceramide desaturase	0.0055	0.0121	0.0104
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.0649	0.5105	0.6429
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0132	0.0768	0.0753
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.156
Echinococcus granulosus	adam 17 protease	0.0055	0.0121	0.0209
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.0585	0.4563	1
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Echinococcus granulosus	disintegrin and metalloproteinase	0.0055	0.0121	0.0209
Plasmodium falciparum	metacaspase 1	0.0145	0.0876	0.1611
Echinococcus granulosus	integrin alpha ps	0.0065	0.021	0.0365
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Echinococcus granulosus	caspase	0.0368	0.2744	0.4758
Trypanosoma cruzi	metacaspase 5, putative	0.0145	0.0876	0.1613
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Loa Loa (eye worm)	cathepsin B	0.0048	0.0063	0.0075
Toxoplasma gondii	ribonucleoside-diphosphate reductase large chain	0.0649	0.5105	1
Mycobacterium tuberculosis	Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase)	0.021	0.1424	0.28
Echinococcus granulosus	integrin alpha ps	0.0136	0.0806	0.1397
Plasmodium vivax	subtilisin-like protease 1	0.0174	0.1125	0.2103
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.0649	0.5105	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Trypanosoma cruzi	metacaspase 5, putative	0.0145	0.0876	0.1613
Giardia lamblia	Cathepsin B precursor	0.0048	0.0063	0.5
Echinococcus multilocularis	caspase 8	0.0145	0.0876	0.152
Echinococcus granulosus	cathepsin b	0.0145	0.0876	0.1519
Echinococcus granulosus	caspase 8	0.0145	0.0876	0.152
Loa Loa (eye worm)	hypothetical protein	0.023	0.1592	0.2002
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Echinococcus granulosus	integrin alpha 3	0.0233	0.1618	0.2805
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein)	0.0142	0.0849	0.1481
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0368	0.2744	0.4758
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0145	0.0876	0.1613
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Loa Loa (eye worm)	hypothetical protein	0.0187	0.123	0.1547
Trypanosoma brucei	metacaspase MCA2	0.0145	0.0876	0.1613
Leishmania major	metacaspase, putative	0.0145	0.0876	0.1613
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.0649	0.5105	0.8851
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0053	0.0107	0.0185
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0077	0.0309	0.0369
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0048	0.0065	0.0003
Echinococcus granulosus	caspase 2	0.0187	0.123	0.2134
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.006	0.0166	0.1232
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0042	0.0016	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0876	0.11
Brugia malayi	angiogenesis inhibito	0.0077	0.0309	0.0369
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit alpha	0.0649	0.5105	1
Echinococcus multilocularis	ribonucleoside diphosphate reductase subunit	0.0142	0.0849	0.1473
Loa Loa (eye worm)	integrin beta-2	0.0987	0.7938	1
Echinococcus multilocularis	glutamate receptor 2	0.0053	0.0107	0.0185
Schistosoma mansoni	integrin alpha-ps	0.0071	0.0258	0.0242
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.023	0.1592	0.1989
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Loa Loa (eye worm)	reprolysin	0.0132	0.0768	0.0964
Schistosoma mansoni	caspase-7 (C14 family)	0.0368	0.2744	0.2732
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0876	0.0861
Brugia malayi	Integrin alpha pat-2 precursor	0.0304	0.2213	0.2773
Brugia malayi	Reprolysin	0.0077	0.031	0.037
Plasmodium vivax	metacaspase 1, putative	0.0145	0.0876	0.1611
Mycobacterium ulcerans	transcriptional regulator NrdR	0.0065	0.0204	0.0309
Echinococcus multilocularis	caspase 3	0.0223	0.153	0.2653
Schistosoma mansoni	hypothetical protein	0.0065	0.021	0.0194
Plasmodium falciparum	metacaspase-like protein	0.0145	0.0876	0.1611
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0142	0.0849	0.156
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0132	0.0768	0.0753
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0152	0.0935	0.1174
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit alpha	0.0585	0.4563	1
Echinococcus multilocularis	caspase	0.0368	0.2744	0.4758
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0876	0.11
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0053	0.0108	0.0187
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Echinococcus granulosus	cathepsin b	0.0145	0.0876	0.1519
Schistosoma mansoni	integrin alpha	0.0304	0.2213	0.22
Mycobacterium leprae	conserved hypothetical protein	0.0065	0.0204	0.0309
Echinococcus granulosus	apoptotic protease activating factor 1	0.0042	0.0016	0.0029
Echinococcus multilocularis	integrin alpha ps	0.0065	0.021	0.0365
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0053	0.0108	0.0187
Echinococcus multilocularis	integrin beta 2	0.0728	0.5767	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.021	0.0261
Plasmodium falciparum	subtilisin-like protease 1	0.0174	0.1125	0.2103
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.0585	0.4563	1
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.0649	0.5105	0.5096
Echinococcus granulosus	glutamate receptor 2	0.0053	0.0107	0.0185
Trypanosoma brucei	metacaspase	0.0145	0.0876	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0121	0.0148
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0145	0.0876	0.1613
Echinococcus multilocularis	caspase 2	0.0187	0.123	0.2134
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0258	0.0321
Toxoplasma gondii	ribonucleoside-diphosphate reductase small subunit	0.0142	0.0849	0.156
Echinococcus granulosus	caspase 3	0.0223	0.153	0.2653
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0055	0.0121	0.0209
Schistosoma mansoni	integrin beta subunit	0.0576	0.4494	0.4485
Giardia lamblia	Cathepsin B precursor	0.0048	0.0063	0.5
Trypanosoma cruzi	metacaspase, putative	0.0145	0.0876	0.1613
Loa Loa (eye worm)	RGC/RGC protein kinase	0.006	0.0166	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0309	0.0385
Brugia malayi	hypothetical protein	0.0152	0.0935	0.116
Brugia malayi	Integrin beta pat-3 precursor	0.0987	0.7938	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0145	0.0876	0.1613
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0145	0.0876	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0016	0.0017
Echinococcus granulosus	integrin beta 2	0.0728	0.5767	1
Plasmodium vivax	hypothetical protein, conserved	0.0145	0.0876	0.1611
Echinococcus multilocularis	adam	0.0193	0.1278	0.2217
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.0649	0.5105	1
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0179	0.1166	0.2188
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.156
Schistosoma mansoni	protein kinase	0.006	0.0166	0.015
Brugia malayi	ribonucleotide reductase 2	0.0142	0.0849	0.1051
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0142	0.0849	0.156
Echinococcus multilocularis	integrin alpha ps	0.0136	0.0806	0.1397
Brugia malayi	Kelch motif family protein	0.0152	0.0935	0.116
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0132	0.0768	0.1332
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0132	0.0768	0.1332
Loa Loa (eye worm)	RGC/RGC protein kinase	0.006	0.0166	0.0205
Echinococcus granulosus	ribonucleoside diphosphate reductase subunit	0.0142	0.0849	0.1473
Echinococcus multilocularis	cathepsin b	0.0145	0.0876	0.1519
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0142	0.0849	0.156
Loa Loa (eye worm)	hypothetical protein	0.0168	0.107	0.1344
Brugia malayi	ADAMTS-like protease	0.0077	0.0309	0.0369
Schistosoma mansoni	ribonucleoside-diphosphate reductase small chain	0.0142	0.0849	0.0834
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0145	0.0876	0.1085
Brugia malayi	hypothetical protein	0.0173	0.1109	0.1379
Plasmodium vivax	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.1557
Echinococcus multilocularis	integrin alpha ps	0.0136	0.0806	0.1397
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.0585	0.4563	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0173	0.1109	0.1094
Trypanosoma brucei	metacaspase 5, putative	0.0145	0.0876	0.1613
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0224	0.1542	0.1528
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0048	0.0063	0.0046
Trypanosoma cruzi	metacaspase, putative	0.0145	0.0876	0.1613
Echinococcus granulosus	adam	0.0193	0.1278	0.2217
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.156
Schistosoma mansoni	caspase-3 (C14 family)	0.0368	0.2744	0.2732
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0368	0.2744	0.4758
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0309	0.0385
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.0649	0.5105	1
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0876	0.1807
Brugia malayi	Cell death protein 3 precursor	0.0187	0.123	0.1533
Schistosoma mansoni	caspase-7 (C14 family)	0.0187	0.123	0.1216
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0935	0.1174
Echinococcus multilocularis	receptor type guanylyl cyclase	0.006	0.0166	0.0288
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.0107	0.0185
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0053	0.0107	0.0185
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0649	0.5105	1
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit beta	0.0142	0.0849	0.1317
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0876	0.0861
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0053	0.0107	0.0185
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.156
Echinococcus granulosus	receptor type guanylyl cyclase	0.006	0.0166	0.0288
Brugia malayi	cathepsin B-like cysteine proteinase	0.0145	0.0876	0.1085
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.0649	0.5105	0.6423
Mycobacterium leprae	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN)	0.0585	0.4563	1
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.0649	0.5105	1
Echinococcus multilocularis	integrin alpha 3	0.0233	0.1618	0.2805
Giardia lamblia	Cathepsin B precursor	0.0048	0.0063	0.5
Trypanosoma cruzi	metacaspase, putative	0.0145	0.0876	0.1613
Loa Loa (eye worm)	integrin alpha pat-2	0.0469	0.3595	0.4526
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.0649	0.5105	1
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0055	0.0121	0.0209
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0145	0.0876	0.1807
Plasmodium falciparum	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.1557
Schistosoma mansoni	glutamate receptor NMDA	0.0053	0.0107	0.009
Onchocerca volvulus	Cell death protein 3 homolog	0.0187	0.123	1
Schistosoma mansoni	integrin alpha-ps	0.0136	0.0806	0.0791
Trypanosoma cruzi	metacaspase, putative	0.0145	0.0876	0.1613
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0055	0.0121	0.0209
Brugia malayi	Receptor family ligand binding region containing protein	0.006	0.0166	0.0189
Echinococcus multilocularis	cathepsin b	0.0145	0.0876	0.1519
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0145	0.0876	0.0861
Loa Loa (eye worm)	ribonucleotide reductase M2 B	0.0142	0.0849	0.1066
Trypanosoma brucei	metacaspase MCA3	0.0145	0.0876	0.1613
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain)	0.0142	0.0849	0.1481
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.0649	0.5105	0.8851
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.0107	0.0185
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0142	0.0849	0.156
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	0.0876	0.1613
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0053	0.0107	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0768	0.0964

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 813625