TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1033.97 | Formula: C41H62F2N11O16P
H donors: 15 H acceptors: 16 LogP: -7.16 Rotable bonds: 36
Rule of 5 violations (Lipinski): 4
SMILES: OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCC(=O)N)C(C)C)CC(=O)N)C(C)C)Cc1ccc(cc1)C(P(=O)(O)O)(F)F)NC(=O)[C@@H]1CCCN1
InChi: 1S/C41H62F2N11O16P/c1-18(2)31(38(64)48-23(11-12-28(44)56)34(60)51-26(40(66)67)16-30(46)58)54-36(62)25(15-29(45)57)50-39(65)32(19(3)4)53-35(61)24(14-20-7-9-21(10-8-20)41(42,43)71(68,69)70)49-37(63)27(17-55)52-33(59)22-6-5-13-47-22/h7-10,18-19,22-27,31-32,47,55H,5-6,11-17H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,63)(H,50,65)(H,51,60)(H,52,59)(H,53,61)(H,54,62)(H,66,67)(H2,68,69,70)/t22-,23-,24-,25-,26-,27-,31-,32-/m0/s1
InChiKey: LZDYQRUJXLVBFM-FIOLWHMYSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	growth factor receptor-bound protein 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	sex muscle abnormal protein 5	Get druggable targets OG5_131257	All targets in OG5_131257
Echinococcus multilocularis	growth factor receptor bound protein 2	Get druggable targets OG5_131257	All targets in OG5_131257
Schistosoma mansoni	growth factor receptor-bound protein	Get druggable targets OG5_131257	All targets in OG5_131257
Schistosoma japonicum	Growth factor receptor-bound protein 2, putative	Get druggable targets OG5_131257	All targets in OG5_131257
Brugia malayi	Sex muscle abnormal protein 5	Get druggable targets OG5_131257	All targets in OG5_131257
Schistosoma mansoni	growth factor receptor-bound protein	Get druggable targets OG5_131257	All targets in OG5_131257
Schistosoma japonicum	ko:K04364 growth factor receptor-binding protein 2, putative	Get druggable targets OG5_131257	All targets in OG5_131257
Echinococcus granulosus	growth factor receptor bound protein 2	Get druggable targets OG5_131257	All targets in OG5_131257

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	hypothetical protein, conserved	growth factor receptor-bound protein 2	217 aa	200 aa	23.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine protease, putative	0.012	0.2961	0.2961
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.2961	0.2961
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0155	0.5201	0.5201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.2961	0.2193
Onchocerca volvulus		0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0984	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0187	0.7288	0.7288
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.5201	0.5201
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Brugia malayi	Sex muscle abnormal protein 5	0.0152	0.5004	0.5004
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0984	0.0984
Schistosoma mansoni	cathepsin F (C01 family)	0.0229	1	1
Leishmania major	cathepsin L-like protease	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.5201	0.5201
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Plasmodium vivax	vivapain-2	0.0229	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.2961	0.2961
Leishmania major	cathepsin L-like protease	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0229	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.009	0.0984	0.0984
Schistosoma mansoni	growth factor receptor-bound protein	0.0152	0.5004	0.5004
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0229	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.7288	0.7288
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Plasmodium vivax	unspecified product	0.012	0.2961	0.2961
Trypanosoma cruzi	cruzipain precursor, putative	0.0229	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.7288	0.7288
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0229	1	1
Echinococcus multilocularis	cathepsin b	0.0187	0.7288	0.6147
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0229	1	1
Loa Loa (eye worm)	ctsf protein	0.0229	1	1
Onchocerca volvulus		0.0229	1	1
Toxoplasma gondii	cathepsin CPL	0.0229	1	1
Echinococcus multilocularis	cysteine protease	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.2961	0.2193
Brugia malayi	Cathepsin L-like precursor	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0187	0.7288	0.7288
Echinococcus multilocularis	cathepsin L cysteine protease	0.0229	1	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0152	0.5004	0.2902
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.2961	0.2961
Plasmodium vivax	vivapain-2	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Onchocerca volvulus		0.0229	1	1
Onchocerca volvulus		0.0229	1	1
Leishmania major	cathepsin L-like protease	0.0229	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0155	0.5201	0.5201
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0229	1	1
Echinococcus multilocularis	cysteine protease	0.0229	1	1
Brugia malayi	cathepsin L-like precursor	0.0155	0.5201	0.5201
Leishmania major	cysteine peptidase A (CPA)	0.0229	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.2961	0.2961
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.2961	0.2193
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Loa Loa (eye worm)	fibroinase	0.0229	1	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0152	0.5004	0.5004
Loa Loa (eye worm)	hypothetical protein	0.0187	0.7288	0.7288
Trypanosoma cruzi	cysteine peptidase, putative	0.012	0.2961	0.2961
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0187	0.7288	0.7288
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Leishmania major	cathepsin L-like protease	0.0229	1	1
Echinococcus multilocularis	cathepsin b	0.0187	0.7288	0.6147
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0152	0.5004	0.2902
Onchocerca volvulus		0.0229	1	1
Entamoeba histolytica	cysteine protease, putative	0.0229	1	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0984	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0229	1	1
Leishmania major	cathepsin L-like protease	0.0229	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.2961	0.2961
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Echinococcus granulosus	cathepsin b	0.0187	0.7288	0.6147
Onchocerca volvulus	Cathepsin F homolog	0.0229	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0155	0.5201	0.5201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0229	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0155	0.5201	0.5201
Loa Loa (eye worm)	cathepsin B	0.009	0.0984	0.0984
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.5201	0.4677
Leishmania major	cathepsin L-like protease	0.0229	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.2961	0.2961
Echinococcus multilocularis	cathepsin L cysteine protease	0.0229	1	1
Echinococcus granulosus	cathepsin l1	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0229	1	1
Echinococcus granulosus	cathepsin l1	0.0155	0.5201	0.3182
Leishmania major	cathepsin L-like protease	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.012	0.2961	0.2961
Loa Loa (eye worm)	hypothetical protein	0.0155	0.5201	0.5201
Plasmodium vivax	vivapain-1	0.012	0.2961	0.2961
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.2961	0.2193
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.5201	0.4677
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Loa Loa (eye worm)	cysteine protease	0.0229	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0152	0.5004	0.5004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Onchocerca volvulus		0.0229	1	1
Onchocerca volvulus		0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0984	0.5
Echinococcus granulosus	cathepsin b	0.0187	0.7288	0.6147
Leishmania major	cathepsin L-like protease	0.0229	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0229	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0229	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.7288	0.7288
Trypanosoma cruzi	cysteine peptidase, putative	0.0229	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0229	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0155	0.5201	0.3182
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.2961	0.2961
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0229	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0229	1	1
Loa Loa (eye worm)	hypothetical protein	0.0229	1	1
Brugia malayi	Cathepsin L-like precursor	0.0155	0.5201	0.5201
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0229	1	1
Plasmodium vivax	vivapain-3	0.012	0.2961	0.2961
Trypanosoma cruzi	cysteine peptidase, putative	0.0229	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0229	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0229	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 200 nM	Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescence	ChEMBL.	10762050
Kd (binding)	= 200 nM	Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescence	ChEMBL.	10762050

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 405330