TDR Targets

Basic information

Technical information

TDR Targets ID: 447705
Name: 1-(2-chloro-2-phenylethyl)-N-[(2-fluorophenyl )methyl]-6-methylsulfanylpyrazolo[3,4-d]pyrim idin-4-amine
MW: 427.925 | Formula: C21H19ClFN5S
H donors: 1 H acceptors: 3 LogP: 5 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nc(NCc2ccccc2F)c2c(n1)n(nc2)CC(c1ccccc1)Cl
InChi: 1S/C21H19ClFN5S/c1-29-21-26-19(24-11-15-9-5-6-10-18(15)23)16-12-25-28(20(16)27-21)13-17(22)14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,24,26,27)
InChiKey: VFCMZLUYFAKLPR-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

1-(2-chloro-2-phenyl-ethyl)-N-[(2-fluorophenyl)methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine
1-(2-chloro-2-phenylethyl)-N-[(2-fluorophenyl)methyl]-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine
[1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-fluorobenzyl)amine
1-(2-chloro-2-phenylethyl)-N-[(2-fluorophenyl)methyl]-6-methylsulfanylpyrazolo[4,5-e]pyrimidin-4-amine
1-(2-chloro-2-phenyl-ethyl)-N-[(2-fluorophenyl)methyl]-6-methylsulfanyl-pyrazolo[4,5-e]pyrimidin-4-amine
1-(2-chloro-2-phenylethyl)-N-[(2-fluorophenyl)methyl]-6-(methylthio)-4-pyrazolo[4,5-e]pyrimidinamine
[1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[4,5-e]pyrimidin-4-yl]-(2-fluorobenzyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ABL proto-oncogene 1, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase ABL1, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	TK/ABL protein kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase Abl	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Brugia malayi	Tyrosine-protein kinase abl-1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131234	All targets in OG5_131234

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 C1, papain-like cysteine peptidase	0.0225	0.4501	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0315	0.0315
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0122	0.2286	0.4054
Plasmodium vivax	vivapain-2	0.0225	0.4501	1
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.4501	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.4501	0.4038
Echinococcus granulosus	cathepsin b	0.048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.4501	0.4501
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0315	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0122	0.2286	0.1637
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0315	0.0315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Loa Loa (eye worm)	cysteine protease	0.0225	0.4501	0.4501
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0398	0.8247	0.8247
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0315	0.0315
Schistosoma mansoni	cathepsin C	0.0052	0.0776	0.0776
Brugia malayi	cathepsin F-like cysteine proteinase	0.0052	0.0776	0.0776
Echinococcus multilocularis	cathepsin b	0.048	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0315	0.0315
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0315	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0315	0.0315
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0052	0.0776	0.0776
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.048	1	1
Brugia malayi	steroid hormone receptor	0.0031	0.0315	0.0315
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.007	0.1158	0.1158
Brugia malayi	cathepsin L precursor	0.0052	0.0776	0.0776
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0103	0.188	0.188
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.0155	0.299	0.299
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0315	0.0315
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0315	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0315	0.0315
Brugia malayi	ecdysteroid receptor	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1725	0.1725
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0155	0.299	0.299
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0776	0.0776
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.048	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.007	0.1158	0.1158
Plasmodium vivax	vivapain-1	0.0122	0.2286	0.4054
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.0155	0.299	0.299
Schistosoma mansoni	tyrosine kinase	0.025	0.5045	0.5045
Plasmodium vivax	unspecified product	0.007	0.1158	0.1025
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.0776	0.0776
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Onchocerca volvulus		0.0225	0.4501	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0315	0.0315
Brugia malayi	cathepsin L-like cysteine proteinase	0.0052	0.0776	0.0776
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0052	0.0776	0.0776
Onchocerca volvulus		0.0052	0.0776	0.1101
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Giardia lamblia	Cathepsin B precursor	0.0184	0.3629	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.1158	0.0414
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.007	0.1158	0.1158
Toxoplasma gondii	cathepsin B	0.0184	0.3629	0.7659
Onchocerca volvulus		0.0225	0.4501	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0315	0.0315
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0225	0.4501	0.4501
Trypanosoma cruzi	cysteine proteinase, putative	0.0122	0.2286	0.1637
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0184	0.3629	0.6063
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.299	0.5946
Echinococcus multilocularis	cysteine protease	0.0225	0.4501	0.4501
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Plasmodium vivax	vivapain-2	0.0225	0.4501	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0225	0.4501	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0315	0.0315
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.007	0.1158	0.1158
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0315	0.0315
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0776	0.0776
Echinococcus multilocularis	cathepsin b	0.048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine proteinase, putative	0.0155	0.299	0.5946
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0052	0.0776	0.0776
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2286	0.1637
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Onchocerca volvulus		0.0225	0.4501	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0052	0.0776	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0254	0.5123	0.5123
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0776	0.0776
Brugia malayi	Papain family cysteine protease containing protein	0.0122	0.2286	0.2286
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.048	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0315	0.0315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2286	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.4501	0.4038
Loa Loa (eye worm)	hypothetical protein	0.0155	0.299	0.299
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.4501	0.4038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Echinococcus multilocularis	cathepsin L	0.0122	0.2286	0.2286
Plasmodium vivax	vivapain-3	0.0122	0.2286	0.4054
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine proteinase, putative	0.0122	0.2286	0.1637
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.4501	0.4501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0315	0.0315
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2286	0.4054
Leishmania major	cysteine peptidase A (CPA)	0.0225	0.4501	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.4501	0.4501
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.048	1	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0052	0.0776	0.0776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.299	0.5946
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0315	0.0315
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0254	0.5123	0.5123
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0776	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Trypanosoma cruzi	cruzipain precursor, putative	0.0225	0.4501	0.4038
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.4501	0.4501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.4501	1
Schistosoma mansoni	coup transcription factor	0.0031	0.0315	0.0315
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Entamoeba histolytica	cysteine proteinase 2	0.0122	0.2286	0.4054
Loa Loa (eye worm)	hypothetical protein	0.007	0.1158	0.1158
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.4501	0.4501
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0776	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.0315	0.0315
Echinococcus granulosus	cathepsin l1	0.0225	0.4501	0.4501
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0122	0.2286	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0225	0.4501	0.4501
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0225	0.4501	1
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Brugia malayi	fibroinase precursor	0.0052	0.0776	0.0776
Onchocerca volvulus		0.0155	0.299	0.6392
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2286	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0052	0.0776	0.0776
Brugia malayi	Papain family cysteine protease containing protein	0.0122	0.2286	0.2286
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.4501	0.4501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.299	0.299
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0052	0.0776	0.0776
Onchocerca volvulus		0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0315	0.0315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0315	0.0315
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0122	0.2286	0.2286
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0184	0.3629	0.3093
Entamoeba histolytica	cysteine protease, putative	0.0225	0.4501	1
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0315	0.0315
Brugia malayi	Papain family cysteine protease containing protein	0.0225	0.4501	0.4501
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0155	0.299	0.299
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Echinococcus granulosus	cathepsin L	0.0052	0.0776	0.0776
Loa Loa (eye worm)	hypothetical protein	0.048	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Echinococcus granulosus	cysteine protease	0.0122	0.2286	0.2286
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0315	0.0315
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0225	0.4501	0.4501
Echinococcus multilocularis	cathepsin L	0.0052	0.0776	0.0776
Echinococcus granulosus	cathepsin L cysteine protease	0.0122	0.2286	0.2286
Loa Loa (eye worm)	TK/ABL protein kinase	0.0254	0.5123	0.5123
Onchocerca volvulus		0.0225	0.4501	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0225	0.4501	0.4501
Echinococcus granulosus	cathepsin l1	0.0155	0.299	0.299
Onchocerca volvulus	Cathepsin F homolog	0.0225	0.4501	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0776	0.0776
Brugia malayi	Cathepsin L-like precursor	0.0225	0.4501	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Brugia malayi	Tyrosine-protein kinase abl-1	0.0103	0.188	0.188
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0052	0.0776	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0776	0.0776
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.0776	0.1101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0052	0.0776	0.0776
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0122	0.2286	0.2286
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0315	0.0315
Brugia malayi	cathepsin L-like precursor	0.0155	0.299	0.299
Schistosoma mansoni	cathepsin s	0.007	0.1158	0.1158
Echinococcus multilocularis	cysteine protease	0.0225	0.4501	0.4501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Loa Loa (eye worm)	cathepsin B	0.0184	0.3629	0.3629
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0315	0.0315
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0155	0.299	0.2401
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Trypanosoma cruzi	cysteine protease, putative	0.0122	0.2286	0.1637
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0315	0.0315
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0052	0.0776	0.0776
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0776	0.0776
Echinococcus granulosus	cathepsin L	0.0122	0.2286	0.2286
Giardia lamblia	Cathepsin B precursor	0.0184	0.3629	1
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Onchocerca volvulus		0.0225	0.4501	1
Loa Loa (eye worm)	fibroinase	0.0225	0.4501	0.4501
Toxoplasma gondii	cathepsin CPL	0.0225	0.4501	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	0.3629	0.3629
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0315	0.0315
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2286	0.4054
Giardia lamblia	Cathepsin B precursor	0.0184	0.3629	1
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.1158	0.0414
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0184	0.3629	0.7659
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0315	0.0315
Plasmodium vivax	unspecified product	0.0122	0.2286	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Loa Loa (eye worm)	ctsf protein	0.0225	0.4501	0.4501
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2286	0.4054
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0315	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0315	0.0315
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.048	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0122	0.2286	0.2286
Onchocerca volvulus		0.0225	0.4501	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0155	0.299	0.299
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.0315	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0315	0.0315
Brugia malayi	Tyrosine-protein kinase abl-1	0.0154	0.2968	0.2968
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0315	0.0315
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.4501	0.4501
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0315	0.0315
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0315	0.0315
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0225	0.4501	1
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2286	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.4501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.007	0.1158	0.1158
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.4501	0.4038
Leishmania major	cathepsin L-like protease	0.0225	0.4501	1
Echinococcus granulosus	cathepsin b	0.048	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0315	0.0315
Brugia malayi	nuclear hormone receptor	0.0031	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.007	0.1158	0.1158
Schistosoma mansoni	cathepsin B (C01 family)	0.0052	0.0776	0.0776
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0315	0.0315
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.0776	0.0776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2286	0.4054
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0315	0.0315
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.4501	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 99.7 %	Antiproliferative activity against human SaOS2 cells assessed as cellular viability at 12.5 uM after 48 hrs by MTT assay	ChEMBL.	17929792
Activity (functional)	= 99.7 %	Antiproliferative activity against human SaOS2 cells assessed as cellular viability at 12.5 uM after 48 hrs by MTT assay	ChEMBL.	17929792
Activity (functional)	= 104.1 %	Antiproliferative activity against human SaOS2 cells assessed as cellular viability at 12.5 uM after 24 hrs by MTT assay	ChEMBL.	17929792
Activity (functional)	= 104.1 %	Antiproliferative activity against human SaOS2 cells assessed as cellular viability at 12.5 uM after 24 hrs by MTT assay	ChEMBL.	17929792
Activity (functional)	= 104.1 %	Antiproliferative activity against human Saos2 cells assessed as cell viability at 12.5 uM after 24 hrs by MTT assay relative to control	ChEMBL.	19410338
IC50 (functional)	= 6.11 uM	Antiproliferative activity against human K562 cells after 3 days by ATP lite 1 step assay	ChEMBL.	20970221
Inhibition (ADMET)	= 85 %	Inhibition of human osteoblast growth at 25 uM after 48 hrs by MTT assay	ChEMBL.	17929792
Ki (binding)	= 0.08 uM	Inhibition of human recombinant Abl	ChEMBL.	19410338
Ki (binding)	= 0.08 uM	Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP	ChEMBL.	21856155
Ki (binding)	= 21 uM	Inhibition of human recombinant Src	ChEMBL.	17929792
Ki (binding)	= 21 uM	Inhibition of human recombinant Src	ChEMBL.	17929792
Ki (binding)	= 21 uM	Inhibition of human recombinant Src	ChEMBL.	19410338
Ki (binding)	= 21.2 uM	Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP	ChEMBL.	21856155

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20970221

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: CHEMBL391724
PubChem: 23655680

Bibliographic References

3 literature references were 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 447705