TDR Targets

Basic information

Technical information

TDR Targets ID: 1467773
Name: 3,4,5-trimethoxy-N-[11-[2-(4-methylpiperazin- 1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin -9-yl]benzamide
MW: 544.641 | Formula: C31H36N4O5
H donors: 1 H acceptors: 2 LogP: 3.76 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1c(OC)cc(cc1OC)C(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(CC1)C)c1ccccc1CC2
InChi: 1S/C31H36N4O5/c1-33-13-15-34(16-14-33)20-29(36)35-25-8-6-5-7-21(25)9-10-22-11-12-24(19-26(22)35)32-31(37)23-17-27(38-2)30(40-4)28(18-23)39-3/h5-8,11-12,17-19H,9-10,13-16,20H2,1-4H3,(H,32,37)
InChiKey: PVDNDEJTQUOMEY-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

3,4,5-trimethoxy-N-[11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5,6-dihydrobenzo[b][1]benzazepin-9-yl]benzamide
3,4,5-trimethoxy-N-[11-[2-(4-methylpiperazin-1-yl)ethanoyl]-5,6-dihydrobenzo[b][1]benzazepin-9-yl]benzamide
STOCK4S-30229

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	PIKK family atypical protein kinase	0.086	0.0476	0.5492
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0525	0.0269	0.2356
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0735	0.0399	0.4808
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0525	0.0269	0.2356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0775	0.0423	0.4695
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1343	0.0774	0.8827
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0385	0.0183	0.1048
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0385	0.0183	0.2086
Entamoeba histolytica	protein kinase rad3, putative	0.0735	0.0399	0.432
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1277	0.0733	0.9389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.078	0.0427	0.4743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0815	0.0448	0.5191
Onchocerca volvulus		0.0272	0.0114	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1387	0.0801	0.9142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0114	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1343	0.0774	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0739	0.0402	0.0291
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0272	0.0114	0.1297
Loa Loa (eye worm)	phosphatidylinositol 3	0.1301	0.0748	0.9447
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0543	0.028	0.0168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1277	0.0733	0.9389
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1132	0.0644	0.1619
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0767	0.0418	0.4619
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0385	0.0183	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.0126	0.0187
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0412	0.02	0.1308
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0385	0.0183	0.1048
Leishmania major	hypothetical protein, conserved	0.5957	0.3618	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0758	0.0413	0.454
Mycobacterium leprae	conserved hypothetical protein	0.0272	0.0114	0.5
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0385	0.0183	0.007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1277	0.0733	0.9389
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1387	0.0801	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0272	0.0114	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1303	0.0749	0.9625
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1323	0.0761	0.1848
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0272	0.0114	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	0.0761	0.9812
Trypanosoma cruzi	target of rapamycin kinase 3	0.1323	0.0761	0.1971
Loa Loa (eye worm)	phosphatidylinositol 3	0.0252	0.0101	0.0982
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0385	0.0183	0.0197
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0385	0.0183	0.1048
Toxoplasma gondii	FATC domain-containing protein	0.0767	0.0418	0.4731
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1343	0.0774	0.1883
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0272	0.0114	0.0037
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1301	0.0748	0.1809
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0385	0.0183	0.1048
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1343	0.0774	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0385	0.0183	0.007
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0272	0.0114	0.1297
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0114	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0758	0.0413	0.454
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0917	0.0511	0.6024
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0735	0.0399	0.455
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0735	0.0399	0.0288
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1132	0.0644	0.803
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1387	0.0801	0.209
Loa Loa (eye worm)	phosphatidylinositol 3	0.1343	0.0774	0.9785
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0767	0.0418	0.5063
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.1132	0.0644	0.803
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1387	0.0801	0.0695
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1132	0.0644	0.1619
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0735	0.0399	0.0888
Schistosoma mansoni	hypothetical protein	0.0272	0.0114	0.1297
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0525	0.0269	0.2356
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0377	0.0178	0.1965
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0525	0.0269	0.3135
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0114	0.1145
Loa Loa (eye worm)	phosphatidylinositol 3	0.1369	0.079	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1387	0.0801	0.0695
Giardia lamblia	GTOR	0.1343	0.0774	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1343	0.0774	1
Echinococcus granulosus	serine protein kinase ATM	0.0767	0.0418	0.0308
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0775	0.0423	0.4695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	0.0761	0.9812
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1323	0.0761	0.9813
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0114	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.08	0.0439	0.4931
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0114	0.1129
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1343	0.0774	1
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0272	0.0114	0.1297
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0525	0.0269	0.2356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0775	0.0423	0.4695
Loa Loa (eye worm)	hypothetical protein	0.0735	0.0399	0.4878
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0735	0.0399	0.0288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0777	0.0425	0.4716
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0543	0.028	0.0168
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1343	0.0774	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1343	0.0774	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0385	0.0183	0.0244
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0272	0.0114	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0462	0.0231	0.1775
Loa Loa (eye worm)	hypothetical protein	0.0543	0.028	0.3326
Loa Loa (eye worm)	hypothetical protein	0.0739	0.0402	0.4915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0385	0.0183	0.007
Echinococcus multilocularis	serine protein kinase ATM	0.0767	0.0418	0.0308
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0385	0.0183	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	0.0761	0.9812
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0767	0.0418	0.0947
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0735	0.0399	0.432
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1343	0.0774	0.0668
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0525	0.0269	0.2356
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0272	0.0114	0.5
Brugia malayi	FAT domain containing protein	0.0543	0.028	0.3278
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.1132	0.0644	0.803
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.6307	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1277	0.0733	0.9389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	0.0761	0.9812
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1301	0.0748	0.9609
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0494	0.0251	0.0446
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1343	0.0774	0.2008
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0525	0.0269	0.2356
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0835	0.0461	0.5257
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0304	0.0133	0.0056
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.086	0.0476	0.5485
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1343	0.0774	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1509	0.0876	0.0771
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1277	0.0733	0.9389
Trichomonas vaginalis	conserved hypothetical protein	0.0815	0.0448	0.5069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0385	0.0183	0.1073
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0525	0.0269	0.0501
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0114	0.1129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1301	0.0748	0.9609
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0767	0.0418	0.4619
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1132	0.0644	0.803
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0385	0.0183	0.2021
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0767	0.0418	0.4775
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0385	0.0183	0.2086
Onchocerca volvulus		0.0272	0.0114	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1132	0.0644	0.7967
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0739	0.0402	0.0291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1323	0.0761	0.9812
Trichomonas vaginalis	conserved hypothetical protein	0.0543	0.028	0.2524
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1277	0.0733	0.1768
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0525	0.0269	0.3071
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1387	0.0801	0.209
Entamoeba histolytica	hypothetical protein	0.0992	0.0557	0.6722
Loa Loa (eye worm)	hypothetical protein	0.0393	0.0188	0.2115
Trypanosoma cruzi	hypothetical protein, conserved	0.5684	0.345	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0385	0.0183	0.2051
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1509	0.0876	0.0771
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0385	0.0183	0.1048
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0385	0.0183	0.1048
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0385	0.0183	0.007
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1343	0.0774	0.9644
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1343	0.0774	0.0668
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0313	0.0138	0.0375
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0385	0.0183	0.0197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1303	0.0749	0.9625
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0114	0.1129
Schistosoma mansoni	hypothetical protein	0.0543	0.028	0.3197
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0599	0.0315	0.3054
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0992	0.0557	0.6722
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0304	0.0133	0.0096
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0917	0.0511	0.6024
Loa Loa (eye worm)	hypothetical protein	0.0272	0.0114	0.1145
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0385	0.0183	0.0244
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1509	0.0876	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0272	0.0114	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0494	0.0251	0.2938
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0739	0.0402	0.4844
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1318	0.0758	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1343	0.0774	0.1883
Loa Loa (eye worm)	hypothetical protein	0.0815	0.0448	0.5525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1297	0.0746	0.9577
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1343	0.0774	0.2008
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0385	0.0183	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0462	0.0231	0.1775
Entamoeba histolytica	hypothetical protein	0.0767	0.0418	0.4619
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1318	0.0758	0.9765

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

ChEMBL: CHEMBL1622768

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 1467773