TDR Targets

Basic information

Technical information

TDR Targets ID: 216221
Name: 1,8-dihydroxy-2-propanoyl-10H-anthracen-9-one
MW: 282.291 | Formula: C17H14O4
H donors: 2 H acceptors: 4 LogP: 3.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)c1ccc2c(c1O)C(=O)c1c(C2)cccc1O
InChi: 1S/C17H14O4/c1-2-12(18)11-7-6-10-8-9-4-3-5-13(19)14(9)17(21)15(10)16(11)20/h3-7,19-20H,2,8H2,1H3
InChiKey: KGAHUIIBPUKUER-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

1,8-dihydroxy-2-(1-oxopropyl)-10H-anthracen-9-one
1,8-dihydroxy-2-propionyl-10H-anthracen-9-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Arachidonate 5-lipoxygenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma japonicum	ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative	Get druggable targets OG5_127482	All targets in OG5_127482
Echinococcus multilocularis	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma japonicum	IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482

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	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Echinococcus granulosus	cathepsin b	0.0439	1	1
Onchocerca volvulus		0.0181	0.3717	1
Onchocerca volvulus	Cathepsin L homolog	0.0036	0.0181	0.0486
Entamoeba histolytica	calpain family cysteine protease, putative	0.0033	0.0118	0.0999
Loa Loa (eye worm)	fibroinase	0.0036	0.0181	0.0181
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0439	1	1
Schistosoma mansoni	lipoxygenase	0.01	0.1739	0.1739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0148	0.291	0.291
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.011	0.1982	0.1982
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Trypanosoma brucei	calpain-like protein, putative	0.011	0.1982	0.6677
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0118	0.0118
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0148	0.291	0.291
Onchocerca volvulus	Cathepsin L homolog	0.0036	0.0181	0.0486
Leishmania major	cysteine peptidase A (CPA)	0.0036	0.0181	0.0225
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Giardia lamblia	Cathepsin B precursor	0.0148	0.291	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.6677
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0033	0.0118	0.0118
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0304	0.6702	0.6702
Trypanosoma cruzi	cysteine peptidase, putative	0.0036	0.0181	0.0181
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trypanosoma cruzi	cysteine peptidase, putative	0.0036	0.0181	0.0181
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Loa Loa (eye worm)	calpain family protein 1	0.0214	0.4518	0.4518
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Loa Loa (eye worm)	ctsf protein	0.0036	0.0181	0.0181
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0036	0.0181	0.0181
Echinococcus granulosus	calpain A	0.0304	0.6702	0.6702
Onchocerca volvulus		0.0036	0.0181	0.0486
Schistosoma mansoni	lipoxygenase	0.0142	0.2782	0.2782
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0304	0.6702	0.6702
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0036	0.0181	0.0181
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Brugia malayi	calpain D	0.0033	0.0118	0.0118
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.1982
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0033	0.0118	0.0118
Trypanosoma brucei	kinesin, putative	0.0077	0.1181	0.3807
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.6677
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0033	0.0118	0.0405
Echinococcus granulosus	calpain 7 C02 family	0.011	0.1982	0.1982
Echinococcus granulosus	calpain 5	0.011	0.1982	0.1982
Onchocerca volvulus		0.0036	0.0181	0.0486
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0439	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0142	0.2782	0.2782
Brugia malayi	calpain family protein 1	0.029	0.6382	0.6382
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0036	0.0181	0.0181
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0142	0.2782	0.2649
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.011	0.1982	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0257	0.5581	0.5581
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.029	0.6382	0.6382
Loa Loa (eye worm)	calpain family protein 1	0.029	0.6382	0.6382
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0181	0.3717	0.3717
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.6677
Trichomonas vaginalis	hypothetical protein	0.0033	0.0118	0.0405
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0036	0.0181	1
Onchocerca volvulus		0.0036	0.0181	0.0486
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Onchocerca volvulus		0.0036	0.0181	0.0486
Schistosoma mansoni	calpain-7 (C02 family)	0.011	0.1982	0.1982
Brugia malayi	calpain 5	0.0033	0.0118	0.0118
Echinococcus multilocularis	cathepsin b	0.0439	1	1
Leishmania major	kinesin, putative	0.0077	0.1181	0.3807
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0148	0.291	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0036	0.0181	0.0181
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0439	1	1
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0033	0.0118	0.0118
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Brugia malayi	Papain family cysteine protease containing protein	0.0036	0.0181	0.0181
Schistosoma mansoni	calpain-7 (C02 family)	0.011	0.1982	0.1982
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0033	0.0118	0.0118
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.1982
Trichomonas vaginalis	calpain, putative	0.0033	0.0118	0.0405
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Giardia lamblia	Cathepsin B precursor	0.0148	0.291	0.5
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.011	0.1982	0.1982
Loa Loa (eye worm)	calpain 5	0.0077	0.1181	0.1181
Schistosoma mansoni	Mername-AA248 (C02 family)	0.011	0.1982	0.1982
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0304	0.6702	0.6702
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Schistosoma mansoni	calpain (C02 family)	0.011	0.1982	0.1982
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trypanosoma brucei	calpain-like protein, putative	0.011	0.1982	0.6677
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0148	0.291	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0036	0.0181	0.0621
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Brugia malayi	calpain family protein 1	0.029	0.6382	0.6382
Trypanosoma cruzi	kinesin, putative	0.0077	0.1181	0.1181
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trypanosoma cruzi	kinesin, putative	0.0077	0.1181	0.1181
Echinococcus multilocularis	calpain 7 (C02 family)	0.011	0.1982	0.1834
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0439	1	1
Onchocerca volvulus		0.0036	0.0181	0.0486
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.1982
Trichomonas vaginalis	calpain, putative	0.0033	0.0118	0.0405
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Loa Loa (eye worm)	calpain D	0.0033	0.0118	0.0118
Entamoeba histolytica	protein kinase, putative	0.0077	0.1181	1
Echinococcus multilocularis	calpain A	0.0304	0.6702	0.6641
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Echinococcus multilocularis	cathepsin b	0.0439	1	1
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.011	0.1982	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0439	1	1
Echinococcus granulosus	cathepsin b	0.0439	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0118	0.0405
Trichomonas vaginalis	calpain, putative	0.0033	0.0118	0.0405
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0304	0.6702	0.6641
Entamoeba histolytica	cysteine proteinase, putative	0.0036	0.0181	0.153
Trypanosoma brucei	antigen, putative	0.011	0.1982	0.6677
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.011	0.1982	0.1982
Trypanosoma cruzi	cysteine peptidase, putative	0.0036	0.0181	0.0181
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.011	0.1982	0.6677
Plasmodium vivax	calpain, putative	0.011	0.1982	1
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4518	0.4518
Giardia lamblia	Cathepsin B precursor	0.0148	0.291	0.5
Loa Loa (eye worm)	calpain	0.011	0.1982	0.1982
Echinococcus multilocularis	calpain family protein 1, d	0.0214	0.4518	0.4417
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Entamoeba histolytica	cysteine protease, putative	0.0036	0.0181	0.153
Trypanosoma brucei	calpain-like protein, putative	0.011	0.1982	0.6677
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0181	0.0181
Trypanosoma cruzi	cysteine peptidase, putative	0.0036	0.0181	0.0181
Leishmania major	cathepsin L-like protease	0.0036	0.0181	0.0225
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Toxoplasma gondii	cathepsin CPL	0.0036	0.0181	0.0225
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.011	0.1982	0.1982
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0181	0.0181
Echinococcus multilocularis	calpain	0.011	0.1982	0.1834
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	cruzipain precursor, putative	0.0036	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.029	0.6382	0.6382
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0036	0.0181	1
Onchocerca volvulus	Cathepsin F homolog	0.0036	0.0181	0.0486
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.6677
Entamoeba histolytica	cysteine proteinase, putative	0.0036	0.0181	0.153
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0036	0.0181	0.0181
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0036	0.0181	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Schistosoma mansoni	hypothetical protein	0.0033	0.0118	0.0118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0033	0.0118	0.0118
Onchocerca volvulus		0.0036	0.0181	0.0486
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Echinococcus granulosus	calpain A	0.011	0.1982	0.1982
Loa Loa (eye worm)	cysteine protease	0.0036	0.0181	0.0181
Onchocerca volvulus		0.0036	0.0181	0.0486
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	calpain-like protein, putative	0.011	0.1982	0.6677
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0033	0.0118	0.0118
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0148	0.291	1
Brugia malayi	calpain 7	0.011	0.1982	0.1982
Schistosoma mansoni	calpain C (C02 family)	0.011	0.1982	0.1982
Schistosoma mansoni	cathepsin F (C01 family)	0.0036	0.0181	0.0181
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Toxoplasma gondii	cathepsin B	0.0148	0.291	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0439	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.011	0.1982	0.1982
Echinococcus granulosus	cathepsin l1	0.0036	0.0181	0.0181
Echinococcus multilocularis	hypothetical protein	0.011	0.1982	0.1834
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Loa Loa (eye worm)	cathepsin B	0.0148	0.291	0.291
Echinococcus granulosus	calpain	0.011	0.1982	0.1982
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0036	0.0181	0.0621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0036	0.0181	0.0225
Echinococcus multilocularis	calpain 5	0.011	0.1982	0.1834
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0181	0.0621
Schistosoma mansoni	calpain-2 (C02 family)	0.0033	0.0118	0.0118
Trypanosoma cruzi	conserved protein	0.0033	0.0118	0.0118
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0077	0.1181	1
Brugia malayi	calpain 5	0.0077	0.1181	0.1181

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.3 uM	Antiproliferative (inhibition of cell growth) activity against HaCaT cells (human keratinocyte line)	ChEMBL.	9371243
IC50 (functional)	= 3.3 uM	Antiproliferative (inhibition of cell growth) activity against HaCaT cells (human keratinocyte line)	ChEMBL.	9371243
IC50 (functional)	= 6 uM	5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)	ChEMBL.	9371243
IC50 (functional)	= 6 uM	5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)	ChEMBL.	9371243
kDPPH (binding)	> 100 M-1 s-1	Antioxidant potential was assessed from reducing activity against 2,2,di-phenyl-1-picrylhydrazyl.	ChEMBL.	9371243
logP (ADMET)	= 4.59	Partition coefficient (logP)	ChEMBL.	9371243
Ratio (binding)	= 2.24	Peroxidant property was expressed as ratio of micromol of malondialdehyde and mMol of deoxyribose relased by 75 microM test compound	ChEMBL.	9371243

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	9371243

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: CHEMBL126057
PubChem: 10779243

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 216221