TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 528.639 | Formula: C25H44N4O8
H donors: 7 H acceptors: 8 LogP: -0.5 Rotable bonds: 18
Rule of 5 violations (Lipinski): 3
SMILES: OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)[C@H](O)C)NCC1CCCCCC1
InChi: 1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(11-12-19(31)32)26-13-17-9-7-5-6-8-10-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16+,18-,20-,21-/m0/s1
InChiKey: YDFKAYXCBSTKHR-OKSLILNBSA-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	discs, large homolog 4 (Drosophila)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Disks large homolog 2, putative	Get druggable targets OG5_128958	All targets in OG5_128958
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128958	All targets in OG5_128958
Schistosoma japonicum	Disks large homolog 4, putative	Get druggable targets OG5_128958	All targets in OG5_128958
Loa Loa (eye worm)	guanylate kinase	Get druggable targets OG5_128958	All targets in OG5_128958
Echinococcus multilocularis	disks large 3	Get druggable targets OG5_128958	All targets in OG5_128958
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128958	All targets in OG5_128958
Echinococcus granulosus	disks large 3	Get druggable targets OG5_128958	All targets in OG5_128958
Brugia malayi	Guanylate kinase family protein	Get druggable targets OG5_128958	All targets in OG5_128958
Schistosoma japonicum	IPR001452,Src homology-3;IPR001478,PDZ/DHR/GLGF,domain-containing	Get druggable targets OG5_128958	All targets in OG5_128958
Schistosoma mansoni	cell polarity protein	Get druggable targets OG5_128958	All targets in OG5_128958
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	Get druggable targets OG5_128958	All targets in OG5_128958

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	tight junction protein ZO 3	discs, large homolog 4 (Drosophila)	721 aa	598 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	proteasome subunit beta type, putative	0.0073	0.2542	0.6141
Echinococcus multilocularis	caspase 8	0.0107	0.3937	0.3937
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0323	0.0821
Brugia malayi	Cell death protein 3 precursor	0.0231	0.9089	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Entamoeba histolytica	cysteine protease, putative	0.0023	0.046	0.181
Echinococcus multilocularis	cysteine protease	0.0023	0.046	0.046
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0323	0.0323
Schistosoma mansoni	cell polarity protein	0.0029	0.0709	0.0709
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0023	0.046	0.1169
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.046	0.0477
Toxoplasma gondii	cathepsin CPL	0.0023	0.046	0.0379
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.046	0.046
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.046	0.0506
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Echinococcus multilocularis	caspase 2	0.0231	0.9089	0.9089
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0107	0.3937	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Brugia malayi	Peripheral plasma membrane protein CASK	0.0012	0.0028	0.0031
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.046	0.046
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0027	0.0642	0.0554
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0146	0.0161
Onchocerca volvulus		0.0023	0.046	0.0477
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0073	0.2542	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0073	0.2542	0.6458
Echinococcus multilocularis	caspase	0.0254	1	1
Plasmodium vivax	metacaspase 1, putative	0.0107	0.3937	1
Plasmodium falciparum	metacaspase 1	0.0107	0.3937	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0023	0.046	0.1169
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0323	0.5
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0073	0.2542	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Onchocerca volvulus	Cell death protein 3 homolog	0.0231	0.9089	1
Brugia malayi	cathepsin L-like precursor	0.0015	0.0146	0.0161
Echinococcus granulosus	cathepsin l1	0.0015	0.0146	0.0146
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.046	0.046
Onchocerca volvulus		0.0023	0.046	0.0477
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trypanosoma cruzi	metacaspase 5, putative	0.0107	0.3937	1
Plasmodium falciparum	metacaspase-like protein	0.0107	0.3937	1
Onchocerca volvulus		0.0015	0.0146	0.0131
Echinococcus granulosus	disks large 3	0.0029	0.0709	0.0709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.046	0.1169
Plasmodium vivax	hypothetical protein, conserved	0.0107	0.3937	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.046	0.046
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0073	0.2542	0.5
Echinococcus granulosus	caspase	0.0254	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Onchocerca volvulus		0.0023	0.046	0.0477
Mycobacterium ulcerans	proteasome PrcB	0.0073	0.2542	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Plasmodium falciparum	proteasome subunit beta type-5	0.0073	0.2542	0.6458
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0323	0.0821
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.046	0.1169
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0146	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0023	0.046	0.0351
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0323	0.0821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.046	0.0379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Leishmania major	proteasome beta 5 subunit, putative	0.0073	0.2542	0.6141
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.046	0.1169
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0323	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Schistosoma mansoni	hypothetical protein	0.0125	0.4663	0.4663
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.046	0.046
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Schistosoma mansoni	caspase-7 (C14 family)	0.0231	0.9089	0.9089
Schistosoma mansoni	caspase-7 (C14 family)	0.0254	1	1
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0073	0.2542	0.2542
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0254	1	1
Loa Loa (eye worm)	ctsf protein	0.0023	0.046	0.0351
Trypanosoma brucei	metacaspase MCA2	0.0107	0.3937	1
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trypanosoma brucei	metacaspase 5, putative	0.0107	0.3937	1
Onchocerca volvulus		0.0023	0.046	0.0477
Trypanosoma brucei	metacaspase	0.0107	0.3937	1
Trypanosoma cruzi	metacaspase, putative	0.0107	0.3937	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.046	0.046
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Schistosoma mansoni	caspase-3 (C14 family)	0.0254	1	1
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trypanosoma cruzi	metacaspase 5, putative	0.0107	0.3937	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0023	0.046	0.1169
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Echinococcus granulosus	cathepsin l1	0.0023	0.046	0.046
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0107	0.3937	1
Echinococcus multilocularis	caspase 3	0.0147	0.5574	0.5574
Echinococcus multilocularis	disks large 3	0.0029	0.0709	0.0709
Echinococcus granulosus	caspase 8	0.0107	0.3937	0.3937
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0146	0.0372
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0146	0.0161
Echinococcus granulosus	caspase 3	0.0147	0.5574	0.5574
Onchocerca volvulus		0.0023	0.046	0.0477
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.046	0.046
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0323	0.0198
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.046	0.1169
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.046	0.0351
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.046	0.0477
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.046	0.046
Onchocerca volvulus		0.0023	0.046	0.0477
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0323	0.0355
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0146	0.0161
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0107	0.3937	0.4331
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Loa Loa (eye worm)	cysteine protease	0.0023	0.046	0.0351
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.046	0.181
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Trypanosoma brucei	metacaspase MCA3	0.0107	0.3937	1
Schistosoma mansoni	ap endonuclease	0.002	0.0323	0.0323
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Onchocerca volvulus		0.0125	0.4663	0.5116
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Brugia malayi	Guanylate kinase family protein	0.0032	0.0832	0.0915
Trypanosoma brucei	Metacaspase-4	0.0107	0.3937	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0125	0.4663	0.4663
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0073	0.2542	0.6458
Loa Loa (eye worm)	fibroinase	0.0023	0.046	0.0351
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0146	0.0146
Brugia malayi	hypothetical protein	0.0125	0.4663	0.5131
Onchocerca volvulus		0.0023	0.046	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0107	0.3937	0.4239
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.046	0.1169
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0107	0.3937	0.3937
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0073	0.2542	0.2542
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.046	0.0477
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0073	0.2542	0.6458
Leishmania major	metacaspase, putative	0.0107	0.3937	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0323	0.0323
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Plasmodium vivax	vivapain-2	0.0023	0.046	0.1169
Echinococcus granulosus	proteasome prosome macropain	0.0073	0.2542	0.2542
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trypanosoma cruzi	metacaspase, putative	0.0107	0.3937	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0073	0.2542	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0323	0.0821
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0323	0.0821
Trypanosoma cruzi	metacaspase, putative	0.0107	0.3937	1
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0146	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0125	0.4663	0.5051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.046	0.1169
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0073	0.2542	0.6458
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.046	0.181
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Leishmania major	cathepsin L-like protease	0.0023	0.046	0.0379
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0146	0.0372
Loa Loa (eye worm)	guanylate kinase	0.0024	0.0504	0.04
Trypanosoma cruzi	metacaspase, putative	0.0107	0.3937	1
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.046	0.0351
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0323	0.1271
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0107	0.3937	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0323	0.0821
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0107	0.3937	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0073	0.2542	0.6458
Brugia malayi	Proteasome A-type and B-type family protein	0.0073	0.2542	0.2797
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Plasmodium vivax	vivapain-2	0.0023	0.046	0.1169
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.046	0.1169
Echinococcus granulosus	caspase 2	0.0231	0.9089	0.9089
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.046	0.1169
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.3937	1
Echinococcus granulosus	apoptotic protease activating factor 1	0.0125	0.4663	0.4663
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.046	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0231	0.9089	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.046	0.0506
Schistosoma mansoni	ap endonuclease	0.002	0.0323	0.0323
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.046	0.1169
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0073	0.2542	0.2679
Echinococcus multilocularis	cysteine protease	0.0023	0.046	0.046
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0323	0.0821

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.4 uM	Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay	ChEMBL.	21322614
Ki (binding)	= 16 uM	Inhibition of PSD-95 PDZ3 domain by competitive fluorescence polarization assay	ChEMBL.	21322614
Ratio Ki (binding)	= 12	Ratio of Ki for PSD-95 PDZ2 domain to Ki for PSD-95 PDZ3 domain	ChEMBL.	21322614

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.

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External resources for this compound

ChEMBL: CHEMBL1688618

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1488259