TDR Targets

Basic information

Technical information

TDR Targets ID: 915361
Name: AIDS163960
MW: 598.69 | Formula: C30H42N6O7
H donors: 4 H acceptors: 6 LogP: 1.72 Rotable bonds: 22
Rule of 5 violations (Lipinski): 2
SMILES: CCOC(=O)/C=C/[C@@H](NC(=O)[C@H](Cc1nccn1C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CCC(=O)N
InChi: 1S/C30H42N6O7/c1-5-42-27(38)14-12-22(11-13-25(31)37)33-28(39)24(18-26-32-15-16-36(26)4)34-29(40)23(17-20(2)3)35-30(41)43-19-21-9-7-6-8-10-21/h6-10,12,14-16,20,22-24H,5,11,13,17-19H2,1-4H3,(H2,31,37)(H,33,39)(H,34,40)(H,35,41)/b14-12+/t22-,23-,24-/m0/s1
InChiKey: SDVFYQYFFHXBRD-PGLTYONOSA-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

4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-(1-methyl-1H-imidazol-2-yl)-propionylamino]-6-carbamoyl-hex-2-enoic acid, ethyl ester
AIDS-163960

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
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0814	0.3432
Echinococcus multilocularis	dna polymerase eta	0.0049	0.2373	0.2176
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0252	0.0718
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0252	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0814	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0814	0.232
Brugia malayi	RNA binding protein	0.0069	0.3509	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0252	0.0252
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.2373	1
Leishmania major	DNA polymerase eta, putative	0.0034	0.1558	0.6568
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0814	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.3509	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0252	0.0252
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0252	0.0718
Brugia malayi	steroid hormone receptor	0.0011	0.0252	0.0718
Trypanosoma cruzi	DNA polymerase eta, putative	0.0034	0.1558	0.6568
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0814	0.0577
Schistosoma mansoni	hypothetical protein	0.0185	1	1
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0252	0.0718
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3509	0.3509
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0814	0.094
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0252	0.0718
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.2373	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.2373	0.6762
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0252	0.0718
Schistosoma mansoni	DNA polymerase eta	0.0049	0.2373	0.2373
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0252	0.0718
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0252	0.0718
Trypanosoma brucei	unspecified product	0.0015	0.0448	0.1887
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.3509	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0252	0.0718
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.0185	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0252	0.0252
Echinococcus multilocularis	geminin	0.0185	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0252	0.0718
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0252	0.0718
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0252	0.0252
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0814	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0252	0.0718
Echinococcus granulosus	tar DNA binding protein	0.0069	0.3509	0.3341
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3509	0.3509
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0252	0.0252
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0252	0.0718
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0814	0.0577
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0814	0.0577
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0252	0.0718
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2373	0.6762
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0252	0.0718
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0161	0.866	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	unspecified product	0.0021	0.0814	0.3432
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0252	0.0718
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0252	0.0718
Trypanosoma brucei	unspecified product	0.0015	0.0448	0.1887
Brugia malayi	ecdysteroid receptor	0.0011	0.0252	0.0718
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0034	0.1558	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0252	0.0252
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0252	0.0718
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Brugia malayi	TAR-binding protein	0.0069	0.3509	1
Echinococcus granulosus	dna polymerase eta	0.0049	0.2373	0.2176
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0252	0.0718
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0814	0.3432
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0252	0.0252
Brugia malayi	nuclear hormone receptor	0.0011	0.0252	0.0718
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0252	0.0718
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0252	0.0252
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0252	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0814	0.094
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0814	0.0577
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.3509	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0814	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0252	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3509	0.3509
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0161	0.866	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3509	0.3509
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0252	0.0718
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0252	0.0252
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0814	0.0814
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0252	0.0718
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0252	0.5
Leishmania major	DNA polymerase eta, putative	0.0049	0.2373	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0252	0.0252
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0814	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0252	0.0718
Onchocerca volvulus		0.0011	0.0252	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.3509	0.3341
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0252	0.0252
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0252	0.0718
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0814	0.3432
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0252	0.0718
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0448	0.1887
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0814	0.232
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0448	0.1887
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.3509	0.3509
Loa Loa (eye worm)	RNA binding protein	0.0069	0.3509	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0814	0.3432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0448	0.1887
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0252	0.0718

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: CHEMBL1179704

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 915361