TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.395 | Formula: C18H15N3O3S
H donors: 2 H acceptors: 2 LogP: 2.07 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(cc1c1ccc(cc1)C(=O)N)c1scc2c1OCCO2
InChi: 1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22)
InChiKey: AWUXFIAHZKNRJF-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	checkpoint kinase 1	Starlite/ChEMBL	References
Homo sapiens	checkpoint kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Candida albicans	protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma japonicum	ko:K06641 serine/threonine-protein kinase Chk2, putative	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	Get druggable targets OG5_128695	All targets in OG5_128695
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Echinococcus multilocularis	serine:threonine protein kinase Chk2	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	kinase involved in DNA repair	Get druggable targets OG5_128695	All targets in OG5_128695
Echinococcus granulosus	serine:threonine protein kinase Chk2	Get druggable targets OG5_128695	All targets in OG5_128695
Candida albicans	kinase involved in DNA repair	Get druggable targets OG5_128695	All targets in OG5_128695

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
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0175	0.0522
Mycobacterium tuberculosis	Probable lipase LipE	0.0233	0.1399	0.1254
Mycobacterium tuberculosis	Probable peptidase	0.0206	0.1211	0.1063
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0357	0.0574
Entamoeba histolytica	hypothetical protein, conserved	0.0054	0.0175	1
Leishmania major	hypothetical protein, conserved	0.0233	0.1399	0.4185
Brugia malayi	calpain 7	0.0041	0.0085	0.0253
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0161	0.0908	0.1769
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0114	0.0583	0.107
Trypanosoma brucei	prolyl endopeptidase	0.0517	0.3344	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0549	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0526	0.1572
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0463	0.2973	0.2854
Brugia malayi	beta-lactamase family protein	0.0233	0.1399	0.4185
Onchocerca volvulus		0.0106	0.0526	0.1107
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0175	0.0522
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.0357	0.2069
Mycobacterium leprae	conserved hypothetical protein	0.0233	0.1399	1
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0085	0.0253
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0109	0.0549	0.1424
Trichomonas vaginalis	D-aminoacylase, putative	0.0233	0.1399	1
Echinococcus granulosus	prolyl endopeptidase	0.0517	0.3344	0.7004
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0054	0.0175	0.0194
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0041	0.0085	0.0253
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.0357	0.0835
Schistosoma mansoni	hypothetical protein	0.014	0.0763	0.2082
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0233	0.1399	0.2825
Echinococcus multilocularis	calpain A	0.0114	0.0583	0.107
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Brugia malayi	Protein kinase domain containing protein	0.0202	0.1189	0.3555
Plasmodium vivax	hypothetical protein, conserved	0.0233	0.1399	1
Echinococcus granulosus	acylamino acid releasing enzyme	0.0054	0.0175	0.0194
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0054	0.0175	0.0277
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0054	0.0175	0.0522
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0357	0.0574
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0054	0.0175	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0233	0.1399	1
Echinococcus multilocularis	prolyl endopeptidase	0.0517	0.3344	0.7004
Loa Loa (eye worm)	prolyl oligopeptidase	0.0054	0.0175	0.0522
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.0357	0.0585
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0166	0.0175
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0054	0.0175	0.0522
Loa Loa (eye worm)	hypothetical protein	0.008	0.0352	0.1053
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0357	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.0908	0.2526
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Brugia malayi	calpain family protein 1	0.0109	0.0549	0.1641
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0054	0.0175	0.0277
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0054	0.0175	1
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0206	0.1211	0.3623
Mycobacterium leprae	Probable lipase LipE	0.0233	0.1399	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0233	0.1399	0.1254
Trypanosoma brucei	oligopeptidase b	0.0206	0.1211	0.3623
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0233	0.1399	0.1254
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0054	0.0175	0.0277
Mycobacterium ulcerans	esterase/lipase LipP	0.0233	0.1399	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.014	0.0763	0.1458
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0054	0.0175	0.5
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0357	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0233	0.1399	0.4034
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0054	0.0175	0.0194
Trypanosoma cruzi	hypothetical protein, conserved	0.0233	0.1399	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0464	0.1388
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0357	0.5
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0517	0.3344	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.0357	0.1545
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Onchocerca volvulus		0.0233	0.1399	0.3864
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0357	0.5
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0054	0.0175	0.0522
Mycobacterium ulcerans	beta-lactamase	0.0233	0.1399	1
Loa Loa (eye worm)	calpain	0.0041	0.0085	0.0253
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0206	0.1211	0.3623
Mycobacterium tuberculosis	Probable hydrolase	0.0233	0.1399	0.1254
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0054	0.0175	0.0522
Schistosoma mansoni	serine/threonine protein kinase	0.0202	0.1189	0.3388
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0054	0.0175	1
Brugia malayi	Probable ClpP-like protease	0.0081	0.0357	0.1066
Entamoeba histolytica	protein kinase, putative	0.003	0.0006	0.0363
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0206	0.1211	0.3623
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0054	0.0175	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0054	0.0175	0.0522
Trypanosoma brucei	antigen, putative	0.0041	0.0085	0.0253
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0046	0.0121	0.0078
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0233	0.1399	0.4034
Brugia malayi	calpain family protein 1	0.0109	0.0549	0.1641
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.0526	0.1353
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0206	0.1211	0.8198
Trichomonas vaginalis	penicillin-binding protein, putative	0.0233	0.1399	1
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	calpain family protein 1	0.008	0.0352	0.1053
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0233	0.1399	0.4185
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.014	0.0763	0.1458
Echinococcus multilocularis	calpain family protein 1, d	0.008	0.0352	0.0575
Mycobacterium ulcerans	lipase LipD	0.0233	0.1399	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0357	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0054	0.0175	0.0686
Brugia malayi	prolyl oligopeptidase family protein	0.0054	0.0175	0.0522
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0202	0.1189	0.3555
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0206	0.1211	0.3623
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0054	0.0175	0.0522
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0046	0.0121	0.0078
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0206	0.1211	0.3623
Mycobacterium tuberculosis	Conserved protein	0.0233	0.1399	0.1254
Trichomonas vaginalis	esterase, putative	0.0233	0.1399	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0054	0.0175	0.0522
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0206	0.1211	0.1063
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0166	0.0175
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0085	0.0253
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0054	0.0175	1
Brugia malayi	prolyl oligopeptidase family protein	0.0054	0.0175	0.0522
Brugia malayi	prolyl oligopeptidase family protein	0.0054	0.0175	0.0522
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0517	0.3344	1
Onchocerca volvulus		0.0233	0.1399	0.3864
Trypanosoma cruzi	oligopeptidase b	0.0206	0.1211	0.3623
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0233	0.1399	0.4185
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0054	0.0175	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0233	0.1399	1
Trypanosoma brucei	hypothetical protein, conserved	0.0233	0.1399	0.4185
Trichomonas vaginalis	D-aminoacylase, putative	0.0233	0.1399	1
Entamoeba histolytica	protein kinase, putative	0.0046	0.0121	0.6929
Echinococcus multilocularis	tumor protein p63	0.0721	0.4738	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0233	0.1399	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Trypanosoma cruzi	oligopeptidase b	0.0206	0.1211	0.3623
Mycobacterium tuberculosis	Conserved protein	0.0233	0.1399	0.1254
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0054	0.0175	0.0194
Trypanosoma cruzi	hypothetical protein, conserved	0.0233	0.1399	0.4185
Leishmania major	oligopeptidase b	0.0206	0.1211	0.3623
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0175	0.0522
Toxoplasma gondii	ABC1 family protein	0.0233	0.1399	0.3864
Toxoplasma gondii	prolyl endopeptidase	0.0517	0.3344	1
Onchocerca volvulus		0.0233	0.1399	0.3864
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.0908	0.2526
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0054	0.0175	0.0194
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0114	0.0583	0.107
Entamoeba histolytica	protein kinase, putative	0.0046	0.0121	0.6929
Brugia malayi	beta-lactamase family protein	0.0233	0.1399	0.4185
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0268	0.08
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0054	0.0175	0.0194
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	calpain family protein 1	0.0109	0.0549	0.1641
Loa Loa (eye worm)	beta-lactamase	0.0233	0.1399	0.4185
Schistosoma mansoni	serine/threonine protein kinase	0.0046	0.0121	0.0112
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0046	0.0121	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Mycobacterium ulcerans	hypothetical protein	0.0233	0.1399	1
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0085	0.0253
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0175	0.0522
Brugia malayi	prolyl oligopeptidase family protein	0.0054	0.0175	0.0522
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.0357	0.0585
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0517	0.3344	1
Onchocerca volvulus		0.0068	0.0268	0.0293
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0054	0.0175	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0517	0.3344	1
Echinococcus granulosus	tumor protein p63	0.0721	0.4738	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0517	0.3344	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0233	0.1399	0.1254
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0085	0.0253
Brugia malayi	prolyl oligopeptidase family protein	0.0517	0.3344	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0233	0.1399	1
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0114	0.0583	0.1528
Mycobacterium tuberculosis	Conserved protein	0.0233	0.1399	0.1254
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0046	0.0121	0.0078
Echinococcus granulosus	beta LACTamase domain containing family member	0.0233	0.1399	0.2825
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0085	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0233	0.1399	0.4185
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0114	0.0583	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0357	0.1066
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0206	0.1211	0.8476
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0233	0.1399	0.1254
Trypanosoma cruzi	prolyl endopeptidase	0.0517	0.3344	1
Brugia malayi	beta-lactamase	0.0233	0.1399	0.4185
Echinococcus granulosus	calpain A	0.0114	0.0583	0.107

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 5 uM	Inhibition of CHK2 in human HT29 cells assessed as blockade of etoposide-induced DNA damage-activated enzyme phosphorylation by Western bloting	ChEMBL.	20022510
GI50 (functional)	= 26 uM	Antiproliferative activity against human HT-29 cells by SRB assay	ChEMBL.	20022510
IC50 (binding)	= 0.092 uM	Inhibition of CHK2 by DELFIA assay	ChEMBL.	20022510
IC50 (binding)	= 5.2 uM	Inhibition of CHK1 by DELFIA assay	ChEMBL.	20022510
Inhibition (binding)	= -4 %	Inhibition of PKCzeta at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= -2 %	Inhibition of AKT1 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= -1 %	Inhibition of MSK1 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 3 %	Inhibition of INSR at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 3 %	Inhibition of p38alpha at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 4 %	Inhibition of AKT2 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 13 %	Inhibition of SRC at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 17 %	Inhibition of Erk1 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 19 %	Inhibition of MET at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 22 %	Inhibition of MAPKAPK2 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 22 %	Inhibition of LCK at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 24 %	Inhibition of Erk2 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 26 %	Inhibition of PKD2 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 26 %	Inhibition of FYN at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 28 %	Inhibition of RSK1 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 31 %	Inhibition of CHK1 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 39 %	Inhibition of LYN at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 47 %	Inhibition of ABL at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 51 %	Inhibition of AurA at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 51 %	Inhibition of GSK3-beta at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 65 %	Inhibition of PRAK at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 70 %	Inhibition of CK1delta at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510
Inhibition (binding)	= 89 %	Inhibition of CHK2 at 1 uM by microfluidic substrate phosphorylation assay	ChEMBL.	20022510

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: CHEMBL602931

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 1098247