TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 536.664 | Formula: C33H36N4O3
H donors: 1 H acceptors: 4 LogP: 5.03 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CNC(=O)[C@H](N1CCC(=O)N([C@H](C1=O)CC(C)C)Cc1cnc2c(c1)cccc2)Cc1ccc2c(c1)cccc2
InChi: 1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30+/m1/s1
InChiKey: COVPLULNDBDXTN-IHLOFXLRSA-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	integrin, beta 2 (complement component 3 receptor 3 and 4 subunit)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959

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
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0079	0.0079
Echinococcus granulosus	acetylcholinesterase	0.0438	0.38	0.3942
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0042	0.002	0.002
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0819	0.7426	0.7426
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CMGC family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	glutamate receptor kainate	0.0065	0.0235	0.0244
Leishmania major	C-8 sterol isomerase-like protein	0.1089	1	1
Brugia malayi	Carboxylesterase family protein	0.0074	0.0326	0.0326
Onchocerca volvulus		0.0248	0.198	1
Loa Loa (eye worm)	carboxylesterase	0.0438	0.38	0.38
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0044	0.0034	0.0034
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0079	0.0079
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0048	0.0081	0.0081
Echinococcus multilocularis	neuroligin	0.0074	0.0326	0.0338
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0189	0.1422	0.1211
Brugia malayi	Kelch motif family protein	0.0069	0.0277	0.0277
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0042	0.002	0.002
Trichomonas vaginalis	serine/threonine kinase, putative	0.0189	0.1422	0.1544
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0189	0.1422	0.1422
Brugia malayi	hypothetical protein	0.0048	0.0081	0.0081
Loa Loa (eye worm)	integrin beta-2	0.0439	0.3808	0.3808
Echinococcus granulosus	glutamate receptor NMDA	0.0093	0.0507	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0248	0.198	0.198
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0048	0.0081	0.0081
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0177	0.1309	0.1358
Brugia malayi	hypothetical protein	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Cell division protein kinase 2	0.0189	0.1422	0.1422
Echinococcus multilocularis	glutamate receptor 2	0.0077	0.0352	0.0366
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	nmda type glutamate receptor	0.0117	0.0736	0.0763
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0326	0.0338
Schistosoma mansoni	protein kinase	0.0189	0.1422	0.1474
Echinococcus granulosus	glutamate receptor 2	0.0077	0.0352	0.0366
Echinococcus granulosus	serine:threonine protein kinase haspin	0.1051	0.9642	1
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0065	0.024	0.024
Entamoeba histolytica	protein kinase domain containing protein	0.0189	0.1422	0.1644
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0042	0.002	0.002
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0177	0.1309	0.1358
Leishmania major	serine/threonine kinase-like protein, putative	0.0189	0.1422	0.1211
Brugia malayi	Carboxylesterase family protein	0.0438	0.38	0.38
Schistosoma mansoni	gliotactin	0.0074	0.0326	0.0338
Brugia malayi	GSG2	0.1051	0.9642	0.9642
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0819	0.7426	1
Echinococcus granulosus	integrin beta 2	0.0322	0.2686	0.2786
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Brugia malayi	hypothetical protein	0.1051	0.9642	0.9642
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0189	0.1422	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Brugia malayi	Carboxylesterase family protein	0.0074	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0248	0.198	0.198
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	sodium/chloride dependent transporter	0.0049	0.009	0.0094
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Carboxylesterase family protein	0.0074	0.0326	0.0326
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Carboxylesterase family protein	0.0438	0.38	0.38
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0044	0.0034	0.0034
Echinococcus multilocularis	acetylcholinesterase	0.0438	0.38	0.3942
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0276	0.0276
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0042	0.002	0.002
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Schistosoma mansoni	glutamate receptor NMDA	0.017	0.1241	0.1287
Treponema pallidum	sodium- and chloride- dependent transporter	0.0248	0.198	0.5
Loa Loa (eye worm)	serotonin transporter b	0.0248	0.198	0.198
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	glutamate receptor NMDA	0.0093	0.0507	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0079	0.0079
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0077	0.0352	0.0366
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0819	0.7426	0.7363
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	aryl hydrocarbon receptor nuclear translocator homolog (darnt)	0.0048	0.0081	0.0084
Onchocerca volvulus		0.0074	0.0326	0.156
Schistosoma mansoni	serine/threonine protein kinase	0.0819	0.7426	0.7702
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0077	0.0352	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0069	0.0279	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0169	0.0169
Echinococcus multilocularis	dual specificity	0.0819	0.7426	0.7702
Brugia malayi	hypothetical protein	0.0048	0.0079	0.0079
Trichomonas vaginalis	CMGC family protein kinase	0.0189	0.1422	0.1544
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1089	1	1
Brugia malayi	Carboxylesterase family protein	0.0074	0.0326	0.0326
Echinococcus granulosus	dual specificity	0.0065	0.024	0.0249
Echinococcus multilocularis	glutamate receptor 2	0.0053	0.0124	0.0129
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0042	0.002	0.002
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0189	0.1422	0.1474
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0042	0.002	0.002
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0189	0.1422	0.1474
Onchocerca volvulus		0.0074	0.0326	0.156
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0042	0.002	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0074	0.0326	0.0338
Brugia malayi	Glutamate receptor 2 precursor	0.0065	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Echinococcus multilocularis	dual specificity	0.0819	0.7426	0.7702
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0042	0.002	0.002
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0189	0.1422	0.1474
Entamoeba histolytica	protein kinase domain containing protein	0.0819	0.7426	1
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0044	0.0034	0.0034
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0189	0.1422	0.1211
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0182	0.1351	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	BC026374 protein S09 family	0.0074	0.0326	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0438	0.38	0.38
Loa Loa (eye worm)	carboxylesterase	0.0074	0.0326	0.0326
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0189	0.1422	0.1422
Loa Loa (eye worm)	haspin protein kinase	0.1051	0.9642	0.9642
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0277	0.0277
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Onchocerca volvulus		0.0074	0.0326	0.156
Echinococcus granulosus	serine:threonine protein kinase haspin	0.1051	0.9642	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.1051	0.9642	1
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	hypothetical protein	0.0182	0.1351	0.1401
Echinococcus granulosus	aryl hydrocarbon receptor	0.0069	0.0279	0.0289
Echinococcus granulosus	dual specificity	0.0819	0.7426	0.7702
Schistosoma mansoni	hypothetical protein	0.0182	0.1351	0.1401
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0077	0.0352	0.0366
Loa Loa (eye worm)	hypothetical protein	0.1089	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	nmda type glutamate receptor	0.0105	0.0624	0.0648
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0077	0.0352	0.0366
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0248	0.198	0.198
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0077	0.0352	0.0366
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0077	0.0352	0.0366
Schistosoma mansoni	glutamate receptor NMDA	0.0177	0.1309	0.1358
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Onchocerca volvulus		0.0074	0.0326	0.156
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	dual specificity	0.0819	0.7426	0.7702
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0248	0.198	0.198
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0042	0.002	0.002
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0189	0.1422	0.1422
Schistosoma mansoni	ATP-binding cassette transporter	0.0065	0.0235	0.0244
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0069	0.0279	0.0279
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0819	0.7426	0.7363
Echinococcus multilocularis	para nitrobenzyl esterase	0.0074	0.0326	0.0338
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0042	0.002	0.002
Echinococcus multilocularis	cyclin dependent kinase 9	0.0189	0.1422	0.1474
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0042	0.002	0.002
Loa Loa (eye worm)	carboxylesterase	0.0074	0.0326	0.0326
Echinococcus granulosus	neuroligin	0.0074	0.0326	0.0338
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0189	0.1422	0.1474
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0189	0.1422	0.1211
Loa Loa (eye worm)	haspin protein kinase	0.1051	0.9642	0.9642
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0438	0.38	0.3942
Schistosoma mansoni	hypothetical protein	0.1051	0.9642	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0042	0.002	0.002
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0042	0.002	0.002
Schistosoma mansoni	glutamate receptor AMPA	0.0065	0.0235	0.0244
Echinococcus granulosus	glutamate receptor 2	0.0053	0.0124	0.0129
Schistosoma mansoni	sodium/chloride dependent transporter	0.0248	0.198	0.2053
Echinococcus multilocularis	carboxylesterase 5A	0.0438	0.38	0.3942
Brugia malayi	hypothetical protein	0.0069	0.0277	0.0277
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0077	0.0352	0.0366
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0307	0.255	1
Echinococcus granulosus	acetylcholinesterase	0.0438	0.38	0.3942
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0189	0.1422	0.1544
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0042	0.002	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0042	0.002	0.002
Onchocerca volvulus	Protein cycle homolog	0.0048	0.0081	0.0314
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Onchocerca volvulus		0.0069	0.0276	0.131
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0189	0.1422	1
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0326	0.0338
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Entamoeba histolytica	cell division protein kinase 2, putative	0.0189	0.1422	0.1644
Echinococcus multilocularis	dual specificity	0.0819	0.7426	0.7702
Schistosoma mansoni	glutamate receptor kainate	0.0065	0.0235	0.0244
Brugia malayi	hypothetical protein	0.0074	0.0326	0.0326
Schistosoma mansoni	serine/threonine protein kinase	0.0189	0.1422	0.1474
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Loa Loa (eye worm)	norepinephrine transporter	0.0248	0.198	0.198
Loa Loa (eye worm)	acetylcholinesterase 1	0.0438	0.38	0.38
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0074	0.0326	0.0338
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1089	1	1
Brugia malayi	hypothetical protein	0.0069	0.0276	0.0276
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0286	0.2343	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0042	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0248	0.198	0.2053
Loa Loa (eye worm)	hypothetical protein	0.0556	0.4925	0.4925
Brugia malayi	Protein kinase domain containing protein	0.0189	0.1422	0.1422
Onchocerca volvulus		0.0074	0.0326	0.156
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.1051	0.9642	1
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus granulosus	sodium and chloride dependent glycine	0.0042	0.002	0.002
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0819	0.7426	0.7426
Schistosoma mansoni	acetylcholinesterase	0.0074	0.0326	0.0338
Loa Loa (eye worm)	glutamate receptor 2	0.0065	0.0235	0.0235
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0048	0.0081	0.0081
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0042	0.002	0.002
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0189	0.1422	0.1211
Giardia lamblia	Kinase, CMGC DYRK	0.0819	0.7426	1
Schistosoma mansoni	glutamate receptor kainate	0.0065	0.0235	0.0244
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0248	0.198	0.198
Schistosoma mansoni	BC026374 protein (S09 family)	0.0074	0.0326	0.0338
Plasmodium falciparum	MO15-related protein kinase	0.0189	0.1422	1
Loa Loa (eye worm)	glutamate receptor 1	0.0065	0.0235	0.0235
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0189	0.1422	1
Trypanosoma brucei	protein kinase, putative	0.0189	0.1422	0.1211
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0074	0.0326	0.0338
Echinococcus multilocularis	dual specificity	0.0065	0.024	0.0249
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0042	0.002	0.002
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0042	0.002	0.002
Schistosoma mansoni	glutamate receptor AMPA	0.0065	0.0235	0.0244
Trichomonas vaginalis	CMGC family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	serotonin transporter	0.0248	0.198	0.2053
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0819	0.7426	0.7363
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.024	0.0249
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	AGC family protein kinase	0.0189	0.1422	0.1544
Trichomonas vaginalis	CMGC family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Protein kinase domain containing protein	0.0065	0.024	0.024
Echinococcus multilocularis	acetylcholinesterase	0.0438	0.38	0.3942
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0042	0.002	0.002
Brugia malayi	Integrin beta pat-3 precursor	0.0439	0.3808	0.3808
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0077	0.0352	0.0366
Echinococcus granulosus	mitogen activated protein kinase 15	0.0189	0.1422	0.1474
Brugia malayi	Glutamate receptor 1 precursor	0.0065	0.0235	0.0235
Echinococcus granulosus	dual specificity	0.0819	0.7426	0.7702
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0034	0.0034
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0042	0.002	0.002
Echinococcus multilocularis	nmda type glutamate receptor	0.0117	0.0736	0.0763
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0048	0.0079	0.0079
Echinococcus multilocularis	integrin beta 2	0.0322	0.2686	0.2786
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0074	0.0326	0.0338
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0079	0.0079
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0189	0.1422	0.1211
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Echinococcus multilocularis	glutamate receptor 2	0.0065	0.0235	0.0244
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0074	0.0326	0.0338
Echinococcus granulosus	serotonin transporter	0.0248	0.198	0.2053
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0169	0.0169
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0042	0.002	0.002
Echinococcus granulosus	cyclin dependent kinase 9	0.0189	0.1422	0.1474
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0307	0.255	1
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0042	0.002	0.002
Echinococcus granulosus	nmda type glutamate receptor	0.0105	0.0624	0.0648
Trichomonas vaginalis	CMGC family protein kinase	0.0819	0.7426	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.002	0.002
Echinococcus granulosus	carboxylesterase 5A	0.0438	0.38	0.3942
Trichomonas vaginalis	CAMK family protein kinase	0.0189	0.1422	0.1544
Schistosoma mansoni	serine/threonine kinase	0.0189	0.1422	0.1474
Schistosoma mansoni	integrin beta subunit	0.0253	0.2028	0.2103
Echinococcus granulosus	sodium and chloride dependent glycine	0.0042	0.002	0.002
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0069	0.0277	0.0277
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0326	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0326	0.0326
Echinococcus granulosus	serine:threonine protein kinase haspin	0.1051	0.9642	1
Entamoeba histolytica	hypothetical protein	0.0182	0.1351	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0438	0.38	0.38
Entamoeba histolytica	protein kinase, putative	0.0819	0.7426	1
Loa Loa (eye worm)	haspin protein kinase	0.1058	0.9712	0.9712

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5700 nM	In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)	ChEMBL.	15686945
IC50 (binding)	= 5700 nM	In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)	ChEMBL.	15686945

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

No external resources registered for this compound

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 316391