TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 475.599 | Formula: C28H29NO4S
H donors: 0 H acceptors: 0 LogP: 5.81 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)sc(c2c1ccc(cc1)OCCN1CCOCC1)c1ccccc1OC
InChi: 1S/C28H29NO4S/c1-30-22-11-12-24-26(19-22)34-28(23-5-3-4-6-25(23)31-2)27(24)20-7-9-21(10-8-20)33-18-15-29-13-16-32-17-14-29/h3-12,19H,13-18H2,1-2H3
InChiKey: ILXCMUJJFOGPAV-UHFFFAOYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Candida albicans	multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W)	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	ABC transporter G family member 2, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Schistosoma japonicum	ATP-binding cassette sub-family G member 1, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma brucei gambiense	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_126574	All targets in OG5_126574
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	similar to S. cerevisiae PDR5 (YOR153W)	Get druggable targets OG5_126574	All targets in OG5_126574
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC transporter whose deletion does not affect fluconazole resistance	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania braziliensis	ATP-binding cassette protein, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W)	Get druggable targets OG5_126574	All targets in OG5_126574
Entamoeba histolytica	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Schistosoma mansoni	ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC transporter similar to S. cerevisiae YOL075C	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	N terminal 2/3 of Opaque-specific ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Giardia lamblia	ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	identical to C terminus of nonallelic CaP19.919	Get druggable targets OG5_126574	All targets in OG5_126574
Plasmodium berghei	ABC transporter G family member 2, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus granulosus	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	Get druggable targets OG5_126574	All targets in OG5_126574
Schistosoma japonicum	ko:K05681 ATP-binding cassette, subfamily G (WHITE), member 2, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus multilocularis	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus multilocularis	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Loa Loa (eye worm)	ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma brucei gambiense	ATP-binding cassette protein, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania braziliensis	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	multidrug resistance ABC transporter similar to S. cerevisiae PDR5 (YOR153W)	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC transporter whose deletion does not affect fluconazole resistance	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma congolense	ATP-binding cassette protein, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma cruzi	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC transporter similar to S. cerevisiae YOL075C	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania donovani	ATP-binding cassette protein subfamily G, member 4, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma congolense	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Neospora caninum	hypothetical protein	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	similar to N terminus of CaP19.6000 multidrug resistance transporter CDR1	Get druggable targets OG5_126574	All targets in OG5_126574
Plasmodium knowlesi	ABC transporter G family member 2, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	similar to S. cerevisiae PDR5 (YOR153W)	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus granulosus	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	N terminal 2/3 of Opaque-specific ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	multidrug resistance protein CDR1 originally isolated by ability to functionally substitute for S. cerevisiae PDR5 (YOR153W) ABC	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma cruzi	ATP-binding cassette protein, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania mexicana	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	Get druggable targets OG5_126574	All targets in OG5_126574
Cryptosporidium hominis	ABC transporter protein	Get druggable targets OG5_126574	All targets in OG5_126574
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus granulosus	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma brucei	ATP-binding cassette protein, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Leishmania infantum	ATP-binding cassette protein subfamily G, member 4, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC family transporter similar to S. cerevisiae YNR070W	Get druggable targets OG5_126574	All targets in OG5_126574
Trypanosoma brucei	ABC transporter, putative	Get druggable targets OG5_126574	All targets in OG5_126574
Echinococcus multilocularis	ATP binding cassette sub family G	Get druggable targets OG5_126574	All targets in OG5_126574
Cryptosporidium parvum	ABC transporter, AAA domain	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	identical to C terminus of nonallelic CaP19.919	Get druggable targets OG5_126574	All targets in OG5_126574
Brugia malayi	ABC transporter family protein	Get druggable targets OG5_126574	All targets in OG5_126574
Candida albicans	potential ABC family transporter similar to S. cerevisiae YNR070W	Get druggable targets OG5_126574	All targets in OG5_126574
Plasmodium falciparum	ABC transporter G family member 2	Get druggable targets OG5_126574	All targets in OG5_126574

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Leishmania major	cathepsin L-like protease	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.1755	0.1572
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0437	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0061	0.046
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0437	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Onchocerca volvulus		0.002	0.0064	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Echinococcus granulosus	geminin	0.0205	0.1317	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0061	0.046
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0217	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Onchocerca volvulus		0.002	0.0064	0.2232
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0217	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0064	0.0489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Brugia malayi	beta-lactamase family protein	0.0042	0.0217	0.6397
Onchocerca volvulus		0.002	0.0064	0.2232
Loa Loa (eye worm)	hypothetical protein	0.006	0.0339	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0217	0.4963
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0061	0.1259
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.021	0.6198
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.002	0.0943
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Entamoeba histolytica	hypothetical protein	0.0043	0.0226	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0217	0.1648
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0064	0.0489
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0064	0.1472
Brugia malayi	beta-lactamase family protein	0.0042	0.0217	0.6397
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0329	0.7525
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0217	0.4963
Leishmania major	cathepsin L-like protease	0.0075	0.0437	1
Brugia malayi	beta-lactamase	0.0042	0.0217	0.6397
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0064	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0217	1
Leishmania major	cathepsin L-like protease	0.0075	0.0437	1
Entamoeba histolytica	cysteine protease, putative	0.002	0.0064	0.285
Plasmodium vivax	vivapain-2	0.002	0.0064	0.2965
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0226	0.1714
Onchocerca volvulus		0.002	0.0064	0.2232
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0064	0.0489
Trichomonas vaginalis	esterase, putative	0.0042	0.0217	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0226	0.1714
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0064	0.0489
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0217	1
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0064	0.285
Schistosoma mansoni	hypothetical protein	0.0019	0.0061	0.046
Brugia malayi	Cathepsin L-like precursor	0.0013	0.002	0.0604
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0217	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Onchocerca volvulus		0.002	0.0064	0.2232
Schistosoma mansoni	hypothetical protein	0.0043	0.0226	0.1714
Onchocerca volvulus		0.0042	0.0217	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0217	0.1648
Onchocerca volvulus		0.002	0.0064	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.0437	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0339	1
Echinococcus multilocularis	geminin	0.0205	0.1317	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0061	0.1786
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0061	0.046
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0064	0.1376
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.002	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Schistosoma mansoni	hypothetical protein	0.0019	0.0061	0.046
Onchocerca volvulus		0.0042	0.0217	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0226	0.1714
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0061	0.046
Brugia malayi	Cathepsin L-like precursor	0.0013	0.002	0.0604
Leishmania major	hypothetical protein, conserved	0.0042	0.0217	0.4093
Echinococcus multilocularis	cysteine protease	0.002	0.0064	0.0489
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0217	0.1648
Echinococcus granulosus	GPCR family 2	0.0019	0.0061	0.046
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0217	0.1648
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0064	0.2232
Schistosoma mansoni	hypothetical protein	0.0019	0.0061	0.046
Echinococcus granulosus	cathepsin l1	0.002	0.0064	0.0489
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0064	0.2232
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0064	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Schistosoma mansoni	hypothetical protein	0.0205	0.1317	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Toxoplasma gondii	ABC1 family protein	0.0042	0.0217	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Loa Loa (eye worm)	hypothetical protein	0.0041	0.021	0.5954
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0064	0.2232
Brugia malayi	hypothetical protein	0.0043	0.0226	0.6656
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0064	0.285
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0217	0.6166
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0064	0.2965
Schistosoma mansoni	hypothetical protein	0.0205	0.1317	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.002	0.0943
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0064	0.2965
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.002	0.0604
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0064	0.0489
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0217	1
Mycobacterium ulcerans	histidinol dehydrogenase	0.1487	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Loa Loa (eye worm)	cysteine protease	0.002	0.0064	0.1376
Onchocerca volvulus		0.002	0.0064	0.2232
Brugia malayi	cathepsin L-like precursor	0.0013	0.002	0.0604
Loa Loa (eye worm)	fibroinase	0.002	0.0064	0.1376
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0061	0.1786
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0064	0.0489
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0217	0.6397
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.1259
Loa Loa (eye worm)	hypothetical protein	0.002	0.0064	0.1376
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0064	1
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0064	0.1897
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0217	0.4963
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Entamoeba histolytica	hypothetical protein	0.0043	0.0226	1
Onchocerca volvulus		0.0042	0.0217	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Mycobacterium tuberculosis	Probable histidinol dehydrogenase HisD (HDH)	0.1487	1	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0393	0.8997
Schistosoma mansoni	hypothetical protein	0.0019	0.0061	0.046
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0064	0.0489
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0064	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0217	0.6166
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0217	0.6166
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0437	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0064	0.1376
Echinococcus multilocularis	cysteine protease	0.002	0.0064	0.0489
Loa Loa (eye worm)	ctsf protein	0.002	0.0064	0.1376
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0064	0.2965
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0437	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0064	0.1897
Echinococcus granulosus	cathepsin l1	0.0013	0.002	0.0155
Schistosoma mansoni	hypothetical protein	0.0041	0.021	0.1596
Entamoeba histolytica	hypothetical protein	0.0043	0.0226	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.002	0.0155
Plasmodium vivax	vivapain-2	0.002	0.0064	0.2965
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0064	0.2965
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0061	0.046
Entamoeba histolytica	hypothetical protein	0.0043	0.0226	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	13.3 uM	PUBCHEM_BIOASSAY: Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Hit compounds from Cherry Pick1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	2.3109 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1736579

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 1525729