TDR Targets

Basic information

Technical information

TDR Targets ID: 54230
Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-( 4-methylthiophen-2-yl)phenyl]prop-2-en-1-one
MW: 378.441 | Formula: C22H18O4S
H donors: 0 H acceptors: 1 LogP: 5.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1/C=C/C(=O)c1ccc2c(c1)OCO2)c1scc(c1)C
InChi: 1S/C22H18O4S/c1-14-9-22(27-12-14)17-5-7-19(24-2)16(10-17)3-6-18(23)15-4-8-20-21(11-15)26-13-25-20/h3-12H,13H2,1-2H3/b6-3+
InChiKey: DJYDZFGWGZTOGL-ZZXKWVIFSA-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

(E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-(4-methyl-2-thienyl)phenyl]prop-2-en-1-one
(E)-1-(1,3-benzodioxol-5-yl)-3-[2-methoxy-5-(4-methyl-2-thienyl)phenyl]-2-propen-1-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor necrosis factor receptor superfamily, member 1A	Starlite/ChEMBL	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	geminin	0.0164	0.521	0.521
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0364	0.0788
Echinococcus multilocularis	Ankyrin	0.0035	0.0628	0.0628
Onchocerca volvulus		0.0027	0.0364	0.5796
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Schistosoma mansoni	hypothetical protein	0.0035	0.0628	0.0628
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0053	0.1272	0.2681
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.1481	0.1481
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0147	0.4621	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0364	0.0364
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0046	0.01
Loa Loa (eye worm)	fibroinase	0.0027	0.0364	0.0364
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0027	0.0364	0.0695
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0027	0.0364	0.0788
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0035	0.0628	0.0628
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0364	0.0695
Echinococcus multilocularis	geminin	0.0164	0.521	0.521
Echinococcus granulosus	cathepsin b	0.0147	0.4621	0.4621
Onchocerca volvulus		0.0027	0.0364	0.5796
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0027	0.0364	0.0364
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0364	0.5377
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0974	0.0974
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0035	0.0628	0.0628
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0974	0.2107
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0035	0.0628	0.0628
Echinococcus multilocularis	cathepsin b	0.0147	0.4621	0.4621
Schistosoma mansoni	ran	0.0021	0.0129	0.0129
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0046	0.0046
Toxoplasma gondii	cathepsin B	0.0053	0.1272	0.8548
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Onchocerca volvulus	Cathepsin F homolog	0.0027	0.0364	0.5796
Entamoeba histolytica	hypothetical protein	0.0035	0.0637	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0035	0.0628	0.1359
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	hypothetical protein	0.0164	0.521	0.521
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Echinococcus granulosus	netrin receptor unc 5	0.0035	0.0628	0.0628
Schistosoma mansoni	ankyrin 23/unc44	0.0035	0.0628	0.0628
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0204	0.1285
Trichomonas vaginalis	ran, putative	0.0021	0.0129	0.0678
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0027	0.0364	0.0364
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1481	1
Plasmodium vivax	vivapain-2	0.0027	0.0364	0.9206
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.1481	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0129	0.0129
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0391	0.2816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Plasmodium vivax	vivapain-2	0.0027	0.0364	0.9206
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.4621	0.4621
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0391	0.2816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0364	0.0364
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0974	0.0974
Brugia malayi	Uncoordinated protein 44	0.0035	0.0628	0.1359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Echinococcus granulosus	death domain containing protein	0.0035	0.0628	0.0628
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0046	0.5
Onchocerca volvulus		0.0027	0.0364	0.5796
Entamoeba histolytica	Ran family GTPase	0.0021	0.0129	0.1406
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Echinococcus multilocularis	cathepsin L cysteine protease	0.0027	0.0364	0.0364
Onchocerca volvulus	Cathepsin L homolog	0.0027	0.0364	0.5796
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.4621	0.4621
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Entamoeba histolytica	hypothetical protein	0.0035	0.0637	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0046	0.0046
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Echinococcus multilocularis	cysteine protease	0.0027	0.0364	0.0364
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0129	0.0678
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4621	0.4621
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1481	0.1481
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0027	0.0364	0.0364
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0637	0.0637
Onchocerca volvulus		0.0027	0.0364	0.5796
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0053	0.1272	0.1272
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0974	0.0974
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0027	0.0364	0.2593
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Echinococcus granulosus	cathepsin b	0.0147	0.4621	0.4621
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0391	0.2407
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.1481	0.1481
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0027	0.0364	0.9206
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0129	0.058
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0364	0.0364
Echinococcus granulosus	Ankyrin	0.0035	0.0628	0.0628
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0129	0.2408
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0391	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0391	0.0391
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Schistosoma mansoni	hypothetical protein	0.0035	0.0637	0.0637
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0974	0.0974
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Echinococcus multilocularis	cathepsin b	0.0147	0.4621	0.4621
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Giardia lamblia	Cathepsin B precursor	0.0053	0.1272	1
Giardia lamblia	Cathepsin B precursor	0.0053	0.1272	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.1481	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	1	1
Schistosoma mansoni	ran	0.0021	0.0129	0.0129
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0129	0.0182
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0046	0.0046
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0364	0.5377
Echinococcus multilocularis	cathepsin L cysteine protease	0.0027	0.0364	0.0364
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0391	0.0391
Echinococcus multilocularis	snurportin 1	0.0299	1	1
Brugia malayi	hypothetical protein	0.0035	0.0637	0.1379
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0364	0.0364
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0027	0.0364	0.0364
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0129	0.0182
Trypanosoma cruzi	cruzipain precursor, putative	0.0027	0.0364	0.0695
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0147	0.4621	0.4621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.1481	0.1481
Brugia malayi	cathepsin L-like precursor	0.0027	0.0364	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Loa Loa (eye worm)	cathepsin B	0.0053	0.1272	0.1272
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0027	0.0364	0.9206
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.1481	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0974	0.0974
Echinococcus multilocularis	cysteine protease	0.0027	0.0364	0.0364
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Schistosoma mansoni	hypothetical protein	0.0164	0.521	0.521
Schistosoma mansoni	hypothetical protein	0.0299	1	1
Onchocerca volvulus		0.0027	0.0364	0.5796
Brugia malayi	RNA, U transporter 1	0.008	0.2222	0.481
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Plasmodium falciparum	importin beta, putative	0.0028	0.0391	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0027	0.0364	0.0364
Onchocerca volvulus		0.0027	0.0364	0.5796
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0364	0.5377
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0035	0.0628	0.0628
Onchocerca volvulus		0.0027	0.0364	0.5796
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0974	0.0974
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0204	0.1098
Giardia lamblia	Cathepsin B precursor	0.0053	0.1272	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0027	0.0364	0.0364
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1481	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0364	0.0364
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0364	0.0788
Schistosoma mansoni	importin beta-1	0.0028	0.0391	0.0391
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0046	0.0046
Echinococcus multilocularis	netrin receptor unc 5	0.0035	0.0628	0.0628
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0628	0.0628
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0129	0.0678
Loa Loa (eye worm)	ctsf protein	0.0027	0.0364	0.0364
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0053	0.1275	0.1275
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0637	0.0637
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.1481	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0637	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0364	0.2593
Leishmania major	GTP-binding protein, putative	0.0021	0.0129	0.058
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0053	0.1272	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0364	0.0695
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0204	0.1285
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0204	0.0344
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0391	1
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0053	0.1275	0.1275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0053	0.1275	0.1275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0974	0.0974
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0364	0.0695
Loa Loa (eye worm)	cysteine protease	0.0027	0.0364	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0364	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0628	0.0628
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0053	0.1275	0.1275
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0204	0.1285
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0129	0.2408
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0637	0.0637
Leishmania major	cysteine peptidase A (CPA)	0.0027	0.0364	0.2216
Brugia malayi	Protein kinase domain containing protein	0.0035	0.0628	0.1359
Onchocerca volvulus		0.0027	0.0364	0.5796
Leishmania major	cathepsin L-like protease	0.0027	0.0364	0.2216
Echinococcus granulosus	cathepsin l1	0.0027	0.0364	0.0364
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0364	0.5377
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0364	0.2593
Toxoplasma gondii	cathepsin CPL	0.0027	0.0364	0.2216
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0129	0.0129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0147	0.4621	0.4621
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0364	0.0695
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0974	0.0974
Schistosoma mansoni	ap endonuclease	0.0018	0.0046	0.0046
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0046	0.5
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0129	0.028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Onchocerca volvulus	Cathepsin L homolog	0.0027	0.0364	0.5796
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0027	0.0364	0.9206
Echinococcus granulosus	cathepsin l1	0.0027	0.0364	0.0364
Entamoeba histolytica	hypothetical protein	0.0023	0.0204	0.2664
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0053	0.1272	0.8548
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0364	0.2593
Schistosoma mansoni	netrin receptor unc5	0.0035	0.0628	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0364	0.0364
Brugia malayi	Death domain containing protein	0.0035	0.0628	0.1359
Schistosoma mansoni	tumor necrosis factor receptor related	0.0053	0.1275	0.1275
Entamoeba histolytica	hypothetical protein	0.0035	0.0637	1
Onchocerca volvulus	Netrin receptor homolog	0.0035	0.0628	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0147	0.4621	1
Brugia malayi	Importin beta-1 subunit	0.0028	0.0391	0.0847
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0053	0.1272	1

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 5.36	Calculated partition coefficient (clogP)	ChEMBL.	15006393
IC50 (functional)	= 4 uM	Inhibition of TNF-alpha-induced VCAM-1 expression	ChEMBL.	15006393
IC50 (functional)	= 4 uM	Inhibition of TNF-alpha-induced VCAM-1 expression	ChEMBL.	15006393

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: CHEMBL39558
PubChem: 22025568

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 54230