TDR Targets

Basic information

Technical information

TDR Targets ID: 1291045
Name: T5571105
MW: 479.568 | Formula: C27H33N3O5
H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C1(NC(=O)N(C1=O)CC(=O)N(C1CCC(CC1)C)C)c1ccc(cc1)OC
InChi: 1S/C27H33N3O5/c1-18-5-11-21(12-6-18)29(2)24(31)17-30-25(32)27(28-26(30)33,19-7-13-22(34-3)14-8-19)20-9-15-23(35-4)16-10-20/h7-10,13-16,18,21H,5-6,11-12,17H2,1-4H3,(H,28,33)
InChiKey: QFLIWTHENHUYSQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.4372	0.4364
Schistosoma mansoni	hypothetical protein	0.0033	0.0435	0.0429
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0435	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.246	0.3975
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0062	0.1456	0.2343
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.246	0.318
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0046	0.0891	0.1139
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3802	0.3864
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0818	0.0804
Schistosoma mansoni	metabotropic glutamate receptor	0.0042	0.0772	0.0773
Loa Loa (eye worm)	TAR-binding protein	0.013	0.3802	0.4935
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0553	0.1172
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.1258	0.1269
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0278	0.0106
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1444	0.2323
Onchocerca volvulus		0.005	0.1022	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0553	0.0549
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0102	0.2824	0.2813
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.246	0.2495
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0051	0.1055	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0102	0.2824	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1444	0.203
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.0251	0.0326
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.246	0.3975
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.1734	0.2235
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1444	0.1458
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0435	0.0683
Mycobacterium leprae	Probable cytosol aminopeptidase PepB	0.0102	0.2824	1
Schistosoma mansoni	hypothetical protein	0.0173	0.5254	0.5347
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0278	0.0264
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0553	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0818	0.0804
Entamoeba histolytica	Flap nuclease, putative	0.0027	0.0251	0.5
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3802	0.3864
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0057	0.1293	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2853	0.3703
Loa Loa (eye worm)	aminopeptidase in chromosome III	0.002	0.0015	0.002
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1444	0.4636
Toxoplasma gondii	leucyl aminopeptidase LAP	0.0102	0.2824	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0278	0.0106
Brugia malayi	hypothetical protein	0.0028	0.0278	0.0342
Echinococcus multilocularis	geminin	0.0173	0.5254	0.8519
Loa Loa (eye worm)	MBCTL1	0.0056	0.1258	0.1633
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.1258	0.1617
Leishmania major	hypothetical protein, conserved	0.0028	0.0278	0.0264
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.7704	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0062	0.1456	0.2343
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0042	0.0772	0.1231
Echinococcus granulosus	tar DNA binding protein	0.013	0.3802	0.6157
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.246	0.2495
Chlamydia trachomatis	cytosol aminopeptidase	0.0102	0.2824	0.5
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.1022	0.1637
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0199	0.6165	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0553	1
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0161	0.0149
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1444	0.1458
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0553	0.0718
Echinococcus multilocularis	tar DNA binding protein	0.013	0.3802	0.6157
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.2853	0.3703
Mycobacterium ulcerans	leucyl aminopeptidase	0.0102	0.2824	0.5173
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.0251	0.0236
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0435	0.0546
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0147	0.4372	0.4364
Leishmania major	hypothetical protein, conserved	0.0036	0.0553	0.0538
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.246	0.3193
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.1258	0.2021
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.1147	0.1133
Schistosoma mansoni	hypothetical protein	0.0033	0.0435	0.0429
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0024	0.0129	0.0148
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0818	0.0804
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3802	0.3864
Toxoplasma gondii	hypothetical protein	0.005	0.1039	0.3063
Brugia malayi	Flap endonuclease-1	0.0027	0.0251	0.0307
Brugia malayi	beta-lactamase family protein	0.0036	0.0553	0.0699
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.0102	0.2824	0.5
Echinococcus multilocularis	leucine aminopeptidase protein	0.0102	0.2824	0.4567
Toxoplasma gondii	ABC1 family protein	0.0036	0.0553	0.1172
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0553	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0102	0.2824	0.3408
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0435	0.0546
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.1022	0.1028
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.1022	0.1637
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0278	0.0106
Echinococcus granulosus	GPCR family 2	0.0033	0.0435	0.0683
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0199	0.6165	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.2853	0.3691
Brugia malayi	mbt repeat family protein	0.005	0.1022	0.131
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0278	0.0106
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0435	0.0683
Giardia lamblia	Flap structure-specific endonuclease	0.0027	0.0251	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.1258	0.2021
Echinococcus granulosus	leucine aminopeptidase protein	0.0102	0.2824	0.4567
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1444	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0278	0.0361
Brugia malayi	beta-lactamase	0.0036	0.0553	0.0699
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0102	0.2824	0.2813
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0553	0.0874
Mycobacterium ulcerans	hypothetical protein	0.0164	0.4944	1
Loa Loa (eye worm)	glutamate receptor	0.0051	0.1055	0.1369
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.246	0.2495
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0553	0.0699
Schistosoma mansoni	metabotropic glutamate receptor	0.0025	0.0163	0.0151
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.7217	1
Loa Loa (eye worm)	RNA binding protein	0.013	0.3802	0.4935
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1444	0.203
Schistosoma mansoni	hypothetical protein	0.0173	0.5254	0.5347
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0553	1
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.0251	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1456	0.189
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0102	0.2824	0.2813
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.1022	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0553	0.0699
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1444	0.203
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.2853	0.3691
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.1258	0.2021
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0553	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.1258	0.2021
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0278	0.0264
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0553	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1258	0.1633
Loa Loa (eye worm)	hypothetical protein	0.007	0.1734	0.2251
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.0251	0.0236
Brugia malayi	TAR-binding protein	0.013	0.3802	0.4925
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.1022	0.1028
Echinococcus granulosus	flap endonuclease 1	0.0027	0.0251	0.0384
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0435	0.0683
Brugia malayi	RNA binding protein	0.013	0.3802	0.4925
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0435	0.0565
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0818	0.0804
Schistosoma mansoni	hypothetical protein	0.0033	0.0435	0.0429
Loa Loa (eye worm)	hypothetical protein	0.005	0.1022	0.1327
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.3802	0.4935
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1444	0.2323
Brugia malayi	MH2 domain containing protein	0.0244	0.7704	1
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.1022	0.1637
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0042	0.0772	0.1231
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3802	0.3864
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3802	0.3864
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0102	0.2824	0.2813
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0278	0.0264
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0164	0.4944	0.6588
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0553	0.0718
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0435	0.0683
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.246	0.3975
Brugia malayi	metabotropic glutamate receptor type 2	0.0025	0.0163	0.0193
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0553	0.0718
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.3802	0.4925
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0553	1
Schistosoma mansoni	hypothetical protein	0.007	0.1734	0.1754
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0435	0.0683
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0553	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.0251	0.0236
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1444	0.1431
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.1022	0.1327
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.1022	0.1637
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0102	0.2824	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.4372	0.4364
Echinococcus granulosus	geminin	0.0173	0.5254	0.8519
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.7704	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0553	0.0538
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.246	0.3975
Brugia malayi	mbt repeat family protein	0.005	0.1022	0.131
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0553	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0435	0.0429
Schistosoma mansoni	hypothetical protein	0.0305	0.9814	1
Loa Loa (eye worm)	aminopeptidase in chromosome V	0.002	0.0015	0.002
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.1022	0.1028
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0553	0.0538

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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: CHEMBL1398337

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 1291045