TDR Targets

Basic information

Technical information

TDR Targets ID: 1435685
Name: ZINC08193018
MW: 402.489 | Formula: C24H26N4O2
H donors: 0 H acceptors: 2 LogP: 3.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(nn1c1ccccc1)C1CC1
InChi: 1S/C24H26N4O2/c1-30-21-11-9-19(10-12-21)26-13-15-27(16-14-26)24(29)23-17-22(18-7-8-18)25-28(23)20-5-3-2-4-6-20/h2-6,9-12,17-18H,7-8,13-16H2,1H3
InChiKey: AVFWJQGDVIOTDY-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

T5599920

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1065	0.3541	0.3477
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0888	0.2796	0.6781
Loa Loa (eye worm)	hypothetical protein	0.0259	0.0147	0.0301
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0252	0.0114	0.004
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1537	0.5529	0.5485
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0398	0.0731	0.064
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0398	0.0731	0.1593
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1065	0.3541	0.8654
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0248	0.0098	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0909	0.2883	0.7
Brugia malayi	Pre-SET motif family protein	0.0251	0.0113	0.0015
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2598	1	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0344	0.0504	0.041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0467	0.1021	0.0932
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1065	0.3541	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0721	0.2092	0.5011
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0658	0.1824	0.434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1065	0.3541	0.8654
Loa Loa (eye worm)	hypothetical protein	0.0293	0.0289	0.0591
Trichomonas vaginalis	conserved hypothetical protein	0.0518	0.1235	0.2858
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0629	0.1703	0.1621
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0888	0.2796	0.7836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.247	0.5963
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0398	0.0731	0.064
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0888	0.2796	0.6781
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0467	0.1021	0.232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.3212	0.7826
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0467	0.1021	0.0932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.247	0.5963
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1537	0.5529	0.5485
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0715	0.2065	0.5712
Trichomonas vaginalis	conserved hypothetical protein	0.0344	0.0504	0.102
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0888	0.2796	0.6781
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0293	0.0289	0.0289
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2598	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.247	0.5963
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2598	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0344	0.0504	0.041
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0398	0.0731	0.1593
Giardia lamblia	GTOR	0.1065	0.3541	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.033	0.0444	0.0869
Schistosoma mansoni	hypothetical protein	0.0344	0.0504	0.041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0643	0.1762	0.4183
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.3212	0.7826
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0888	0.2796	0.2796
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.28	0.6791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.28	0.6791
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0629	0.1703	0.1621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.2799	0.6788
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0658	0.1824	0.434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1065	0.3541	0.8654
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2598	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0848	0.2627	0.6357
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.2799	0.6788
Echinococcus multilocularis	serine protein kinase ATM	0.0467	0.1021	0.0932
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0248	0.0098	0.02
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.2799	0.6788
Loa Loa (eye worm)	hypothetical protein	0.0381	0.066	0.1349
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1065	0.3541	0.3477
Brugia malayi	FAT domain containing protein	0.0344	0.0504	0.041
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0596	0.1565	0.3687
Entamoeba histolytica	protein kinase rad3, putative	0.0467	0.1021	0.2681
Loa Loa (eye worm)	hypothetical protein	0.0629	0.1703	0.3479
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0398	0.0731	0.1593
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1065	0.3541	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1065	0.3541	0.8654
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0248	0.0098	0.0098
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0967	0.3128	1
Echinococcus granulosus	serine protein kinase ATM	0.0467	0.1021	0.0932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.1679	0.3974
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0398	0.0731	0.184
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0467	0.1021	0.0932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0293	0.0289	0.0481
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0431	0.087	0.078
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1065	0.3541	0.8654
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1021	0.2085
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0248	0.0098	0.0098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.3212	0.7826
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0467	0.1021	0.232
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0738	0.2162	0.5996
Toxoplasma gondii	FATC domain-containing protein	0.0467	0.1021	0.3046
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0507	0.1191	0.2472
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0811	0.247	0.5963
Loa Loa (eye worm)	phosphatidylinositol 3	0.1386	0.4895	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1192	0.4077	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.1192	0.4077	0.8328
Loa Loa (eye worm)	hypothetical protein	0.0344	0.0504	0.1029
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0398	0.0731	0.1593
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1065	0.3541	0.8654
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.1679	0.3974
Trypanosoma cruzi	target of rapamycin kinase 3	0.0987	0.3213	0.3213
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0987	0.3213	0.7829
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0478	0.1069	0.2822
Loa Loa (eye worm)	phosphatidylinositol 3	0.1065	0.3541	0.7234
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.3212	0.7826
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0909	0.2883	0.7
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.3212	0.7826
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0987	0.3213	0.7829
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1065	0.3541	0.3541
Loa Loa (eye worm)	hypothetical protein	0.0518	0.1235	0.2523
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.0259	0.0406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.28	0.6791
Leishmania major	hypothetical protein, conserved	0.0265	0.017	0.0181
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1065	0.3541	0.3477
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0248	0.0098	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0431	0.087	0.078
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0467	0.1021	0.1021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0694	0.1976	0.4721
Entamoeba histolytica	hypothetical protein	0.0467	0.1021	0.2681
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0811	0.247	0.5963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1192	0.4077	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1065	0.3541	0.3477
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0888	0.2796	0.2725
Entamoeba histolytica	hypothetical protein	0.0738	0.2162	0.5996
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0467	0.1021	0.0932
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0398	0.0731	0.0731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0889	0.28	0.6791
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2598	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0293	0.0289	0.0481
Onchocerca volvulus		0.0286	0.0259	0.5
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0848	0.2627	0.7346
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1192	0.4077	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0467	0.1021	0.232
Loa Loa (eye worm)	hypothetical protein	0.0381	0.066	0.1349
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0467	0.1021	0.1021
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0398	0.0731	0.184
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0649	0.1787	0.1706
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.0113	0.0231
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0467	0.1021	0.0932
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0518	0.1235	0.3752
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1065	0.3541	0.3541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.1679	0.3974
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0888	0.2796	0.2796
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0629	0.1703	0.1621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0811	0.247	0.5963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1065	0.3541	0.8654
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0467	0.1021	0.0932
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1537	0.5529	0.5485
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0967	0.3128	0.7616

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1607571

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1435685