TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 602.588 | Formula: C28H28F6N2O4S
H donors: 2 H acceptors: 3 LogP: 6.06 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)[C@@H]1CC[C@@H](CC1)Nc1cccc(c1)Sc1ccc(c(c1C(F)(F)F)C(F)(F)F)/C=C/C(=O)N1CCOCC1
InChi: 1S/C28H28F6N2O4S/c29-27(30,31)24-17(7-11-23(37)36-12-14-40-15-13-36)6-10-22(25(24)28(32,33)34)41-21-3-1-2-20(16-21)35-19-8-4-18(5-9-19)26(38)39/h1-3,6-7,10-11,16,18-19,35H,4-5,8-9,12-15H2,(H,38,39)/b11-7+/t18-,19+
InChiKey: URZCVPKXOJQTLC-BZZHFGAJSA-N

Network

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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

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	intercellular adhesion molecule 1		References
Homo sapiens	integrin, beta 2 (complement component 3 receptor 3 and 4 subunit)		References
Homo sapiens	integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	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
Schistosoma mansoni	integrin beta subunit	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
Schistosoma japonicum	Integrin beta-3 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 japonicum	Integrin beta-PS 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

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	cyclin B3, putative	0.0196	0.3657	0.3264
Brugia malayi	Protein kinase domain containing protein	0.0502	1	1
Schistosoma mansoni	cyclin d	0.0047	0.0584	0.0408
Schistosoma mansoni	cyclins	0.0196	0.3657	0.3539
Trichomonas vaginalis	CMGC family protein kinase	0.0197	0.3689	0.3297
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0264	0.0264
Schistosoma mansoni	integrin alpha-ps	0.0066	0.0978	0.081
Echinococcus granulosus	Cyclin L1	0.0047	0.0584	0.0408
Echinococcus granulosus	cyclin k	0.0047	0.0584	0.0408
Brugia malayi	Kelch motif family protein	0.0069	0.1035	0.0914
Brugia malayi	cyclin fold protein 1 variant b	0.0047	0.0584	0.0457
Echinococcus granulosus	integrin beta 2	0.0322	0.6267	0.6197
Trichomonas vaginalis	conserved hypothetical protein	0.0196	0.3657	0.3264
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.018	0.3332	0.3332
Trypanosoma brucei	mitotic cyclin	0.0047	0.0584	0.0287
Entamoeba histolytica	cyclin family protein	0.0196	0.3657	0.3572
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0047	0.0584	0.0408
Echinococcus granulosus	cyclin G2	0.0047	0.0584	0.0408
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0184	0.0184
Plasmodium vivax	cyclin 4, putative	0.0047	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0173	0.0173
Toxoplasma gondii	methionine aminopeptidase	0.018	0.3332	0.3121
Echinococcus multilocularis	cyclin t1	0.0047	0.0584	0.0408
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0133	0.0505
Chlamydia trachomatis	methionine aminopeptidase	0.0146	0.2633	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0197	0.3689	0.3571
Trichomonas vaginalis	cyclins, putative	0.0443	0.8773	0.8697
Trypanosoma brucei	cyclin 3	0.0047	0.0584	0.0287
Toxoplasma gondii	hypothetical protein	0.0148	0.268	0.2448
Trypanosoma cruzi	cdc2-related kinase 1	0.0502	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0502	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0502	1	1
Leishmania major	hypothetical protein, conserved	0.0034	0.0306	0.0176
Echinococcus granulosus	cyclins	0.0196	0.3657	0.3539
Plasmodium falciparum	HP12 protein homolog, putative	0.0034	0.0306	0.0306
Trichomonas vaginalis	CMGC family protein kinase	0.0197	0.3689	0.3297
Echinococcus granulosus	cyclins	0.0047	0.0584	0.0408
Brugia malayi	intracellular kinase	0.0197	0.3689	0.3604
Echinococcus granulosus	cyclin dependent kinase	0.0502	1	1
Entamoeba histolytica	cyclin, putative	0.0196	0.3657	0.3572
Trypanosoma cruzi	cdc2-related kinase 1	0.0502	1	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0315	0.6126	0.6053
Trypanosoma brucei	mitotic cyclin 6	0.0443	0.8773	0.8734
Entamoeba histolytica	cyclin family protein	0.0196	0.3657	0.3572
Trichomonas vaginalis	CMGC family protein kinase	0.0502	1	1
Echinococcus multilocularis	cyclin b3	0.0196	0.3657	0.3539
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0146	0.2633	1
Echinococcus multilocularis	integrin beta 2	0.0322	0.6267	0.6197
Toxoplasma gondii	hypothetical protein	0.0047	0.0584	0.0287
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.1012	0.0891
Entamoeba histolytica	cyclin C, putative	0.0047	0.0584	0.0457
Giardia lamblia	G2/mitotic-specific cyclin B	0.0443	0.8773	0.8697
Schistosoma mansoni	hypothetical protein	0.0037	0.0363	0.0183
Schistosoma mansoni	integrin beta subunit	0.0253	0.4839	0.4742
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.018	0.3332	0.3242
Brugia malayi	intermediate filament protein	0.0028	0.0184	0.0051
Echinococcus multilocularis	cyclin A3 4	0.0047	0.0584	0.0408
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0133	0.0505
Schistosoma mansoni	serine/threonine protein kinase	0.0502	1	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.018	0.3332	0.3121
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Entamoeba histolytica	cyclin, domain containing protein	0.0047	0.0584	0.0457
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.1012	0.0844
Loa Loa (eye worm)	methionine aminopeptidase type I	0.018	0.3332	0.3332
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0502	1	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0197	0.3689	0.3689
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0197	0.3689	0.3489
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0112	0.1921	0.1812
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0247	0.4722	0.4722
Plasmodium falciparum	protein kinase 5	0.0502	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0321	0.0321
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0502	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0133	0.0505
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1012	0.0844
Echinococcus multilocularis	cyclin dependent kinase	0.0502	1	1
Echinococcus granulosus	cyclins	0.0196	0.3657	0.3539
Schistosoma mansoni	integrin alpha-ps	0.0034	0.0321	0.014
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0443	0.8773	0.8756
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Trypanosoma cruzi	cyclin 9, putative	0.0047	0.0584	0.0287
Echinococcus multilocularis	integrin alpha ps	0.0066	0.0978	0.081
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0184	0.0184
Giardia lamblia	Kinase, CMGC GSK	0.0197	0.3689	0.3297
Echinococcus multilocularis	cyclin y	0.0047	0.0584	0.0408
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0363	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0443	0.8773	0.8773
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.018	0.3332	0.3207
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0197	0.3689	0.3689
Onchocerca volvulus		0.0197	0.3689	0.4116
Trichomonas vaginalis	cyclin B, putative	0.0443	0.8773	0.8697
Loa Loa (eye worm)	cyclin C	0.0047	0.0584	0.0584
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0133	0.0505
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0315	0.6126	0.6053
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.018	0.3332	0.3207
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0713	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0133
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0133	0.0505
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0133	0.0505
Trichomonas vaginalis	CMGC family protein kinase	0.0502	1	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0197	0.3689	0.3604
Echinococcus granulosus	cyclin dependent kinase 5	0.0502	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0502	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Plasmodium falciparum	glycogen synthase kinase 3	0.0197	0.3689	0.3689
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0047	0.0584	0.0584
Toxoplasma gondii	cyclin dependent kinase binding protein	0.0047	0.0584	0.0287
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.0584	0.0584
Echinococcus granulosus	cyclin b3	0.0196	0.3657	0.3539
Onchocerca volvulus		0.0047	0.0584	0.0522
Toxoplasma gondii	cyclin 4, putative	0.0047	0.0584	0.0287
Loa Loa (eye worm)	hypothetical protein	0.016	0.2921	0.2921
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0184	0.0184
Brugia malayi	hypothetical protein	0.0047	0.0584	0.0457
Echinococcus granulosus	integrin alpha ps	0.0032	0.0264	0.0082
Echinococcus multilocularis	G1:S specific cyclin D1	0.0047	0.0584	0.0408
Entamoeba histolytica	hypothetical protein	0.0047	0.0584	0.0457
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0146	0.2633	1
Echinococcus granulosus	integrin alpha 3	0.0032	0.0264	0.0082
Brugia malayi	TAR-binding protein	0.0068	0.1012	0.0891
Onchocerca volvulus	Cyclin L homolog	0.0047	0.0584	0.0522
Plasmodium falciparum	cyclin dependent kinase binding protein, putative	0.0047	0.0584	0.0584
Echinococcus multilocularis	muscleblind protein	0.016	0.2921	0.2789
Trichomonas vaginalis	cyclin B, putative	0.0443	0.8773	0.8697
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0146	0.2633	0.2495
Trichomonas vaginalis	cyclins, putative	0.0196	0.3657	0.3264
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0713	0.0713
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1012	0.0844
Trypanosoma brucei	cdc2-related kinase 1	0.0502	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0443	0.8773	0.8756
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Echinococcus granulosus	cyclins	0.0196	0.3657	0.3539
Trichomonas vaginalis	CMGC family protein kinase	0.0502	1	1
Schistosoma mansoni	cyclin B	0.0443	0.8773	0.875
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0184	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0713	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0321	0.0321
Echinococcus multilocularis	muscleblind protein 1	0.016	0.2921	0.2789
Trypanosoma cruzi	cyclin 6, putative	0.0443	0.8773	0.8734
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0502	1	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0502	1	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0146	0.2633	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0197	0.3689	0.3689
Echinococcus multilocularis	cyclin G2	0.0047	0.0584	0.0408
Loa Loa (eye worm)	CYL-1 protein	0.0047	0.0584	0.0584
Trichomonas vaginalis	cyclin D, putative	0.0196	0.3657	0.3264
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0133	0.0505
Echinococcus granulosus	muscleblind protein	0.016	0.2921	0.2789
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0146	0.2633	0.2495
Brugia malayi	Muscleblind-like protein	0.016	0.2921	0.2826
Schistosoma mansoni	hypothetical protein	0.0047	0.0584	0.0408
Trypanosoma cruzi	cyclin, putative	0.0443	0.8773	0.8734
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0146	0.2633	0.2633
Echinococcus granulosus	cyclin B3 1	0.0196	0.3657	0.3539
Echinococcus multilocularis	cyclin k	0.0047	0.0584	0.0408
Onchocerca volvulus		0.0028	0.0184	0.0059
Onchocerca volvulus		0.0443	0.8773	1
Giardia lamblia	Hypothetical protein	0.0196	0.3657	0.3264
Echinococcus granulosus	cyclin A3 4	0.0047	0.0584	0.0408
Trypanosoma brucei	methionine aminopeptidase, putative	0.018	0.3332	0.3121
Plasmodium falciparum	cyclin	0.0196	0.3657	0.3657
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Trypanosoma cruzi	mitotic cyclin, putative	0.0047	0.0584	0.0287
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0443	0.8773	0.8734
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0584	0.0287
Echinococcus granulosus	protein kinase shaggy	0.0197	0.3689	0.3571
Echinococcus granulosus	cyclin y	0.0047	0.0584	0.0408
Trypanosoma brucei	cyclin dependent kinase-binding protein, putative	0.0047	0.0584	0.0287
Echinococcus multilocularis	cyclin B3 1	0.0196	0.3657	0.3539
Entamoeba histolytica	cyclin, putative	0.0443	0.8773	0.8756
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0133	0.0505
Plasmodium falciparum	cyclin 1	0.0047	0.0584	0.0584
Brugia malayi	Integrin alpha pat-2 precursor	0.0066	0.0978	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0443	0.8773	0.8773
Brugia malayi	Cyclin C	0.0047	0.0584	0.0457
Echinococcus multilocularis	cyclin B	0.0443	0.8773	0.875
Trypanosoma brucei	cyclin 9	0.0047	0.0584	0.0287
Leishmania major	cyclin 9, putative	0.0047	0.0584	0.0457
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Echinococcus granulosus	tar DNA binding protein	0.0068	0.1012	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0133
Brugia malayi	RNA binding protein	0.0068	0.1012	0.0891
Loa Loa (eye worm)	integrin alpha pat-2	0.0146	0.2635	0.2635
Onchocerca volvulus		0.0028	0.0184	0.0059
Echinococcus granulosus	cyclin B	0.0443	0.8773	0.875
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0584	0.0584
Echinococcus multilocularis	integrin alpha ps	0.0066	0.0978	0.081
Schistosoma mansoni	cyclin G	0.0047	0.0584	0.0408
Trichomonas vaginalis	cyclins, putative	0.0443	0.8773	0.8697
Onchocerca volvulus	Protein CNPPD1 homolog	0.0047	0.0584	0.0522
Trypanosoma cruzi	cdc2-related kinase 3	0.0502	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0133
Echinococcus granulosus	cyclins	0.0196	0.3657	0.3539
Schistosoma mansoni	cyclin G2	0.0047	0.0584	0.0408
Plasmodium vivax	protein kinase Crk2	0.0502	1	1
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0047	0.0584	0.0408
Brugia malayi	Methionine aminopeptidase protein type I	0.018	0.3332	0.3242
Schistosoma mansoni	hypothetical protein	0.0032	0.0264	0.0082
Brugia malayi	hypothetical protein	0.0047	0.0584	0.0457
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.2256	0.2256
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1012	0.0844
Echinococcus granulosus	G1:S specific cyclin D1	0.0047	0.0584	0.0408
Entamoeba histolytica	cyclin, domain containing protein	0.0047	0.0584	0.0457
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0133	0.0505
Giardia lamblia	Kinase, CMGC CDK	0.0502	1	1
Echinococcus multilocularis	cyclin y	0.0047	0.0584	0.0408
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.1012	0.1012
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.0047	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0584	0.0584
Echinococcus multilocularis	integrin alpha ps	0.0032	0.0264	0.0082
Schistosoma mansoni	Cyclin fold protein	0.0047	0.0584	0.0408
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0047	0.0584	0.0408
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.018	0.3332	0.3121
Giardia lamblia	Cyclin A	0.0196	0.3657	0.3264
Brugia malayi	MH2 domain containing protein	0.0128	0.2256	0.2152
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0197	0.3689	0.3489
Echinococcus granulosus	cyclin y	0.0047	0.0584	0.0408
Brugia malayi	hypothetical protein	0.0069	0.1035	0.0914
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0146	0.2633	0.2495
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0197	0.3689	0.3571
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0069	0.1035	0.1035
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.018	0.3332	0.3332
Echinococcus granulosus	cyclins	0.0196	0.3657	0.3539
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0047	0.0584	0.0408
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.2256	0.2256
Trypanosoma cruzi	cyclin, putative	0.0443	0.8773	0.8734
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1012	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0495	0.9851	0.9851
Entamoeba histolytica	protein kinase domain containing protein	0.0197	0.3689	0.3604
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1035	0.1035
Echinococcus multilocularis	cyclin	0.0047	0.0584	0.0408
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0502	1	1
Echinococcus multilocularis	integrin alpha 3	0.0032	0.0264	0.0082
Trichomonas vaginalis	cyclin B, putative	0.0443	0.8773	0.8697
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.018	0.3332	0.3121
Schistosoma mansoni	cyclin k	0.0047	0.0584	0.0408
Schistosoma mansoni	cyclin B3	0.0315	0.6126	0.6053
Echinococcus granulosus	cyclin	0.0047	0.0584	0.0408
Schistosoma mansoni	cyclin l	0.0047	0.0584	0.0408
Schistosoma mansoni	hypothetical protein	0.0047	0.0584	0.0408
Echinococcus multilocularis	cyclins	0.0196	0.3657	0.3539
Echinococcus granulosus	cyclin G2	0.0047	0.0584	0.0408
Trypanosoma brucei	protein kinase, putative	0.0197	0.3689	0.3489
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0502	1	1
Trichomonas vaginalis	cyclins, putative	0.0443	0.8773	0.8697
Brugia malayi	Integrin beta pat-3 precursor	0.0439	0.8703	0.8686
Schistosoma mansoni	integrin alpha	0.0066	0.0978	0.081
Entamoeba histolytica	protein kinase, putative	0.0197	0.3689	0.3604
Trypanosoma cruzi	cdc2-related kinase 3	0.0502	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0197	0.3689	0.3604
Toxoplasma gondii	cyclin domain protein, cyclin H family protein	0.0047	0.0584	0.0287
Trichomonas vaginalis	cyclin D, putative	0.0196	0.3657	0.3264
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Echinococcus multilocularis	Cyclin L1	0.0047	0.0584	0.0408
Schistosoma mansoni	g1/s-specific cyclin C	0.0047	0.0584	0.0408
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0133	0.0505
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0047	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0363	0.0363
Onchocerca volvulus	Cyclin L homolog	0.0047	0.0584	0.0522
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0146	0.2633	0.24
Loa Loa (eye worm)	cyclin domain-containing protein	0.0315	0.6126	0.6126
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0502	1	1
Trichomonas vaginalis	cyclins, putative	0.0294	0.57	0.5433
Trypanosoma cruzi	mitotic cyclin, putative	0.0047	0.0584	0.0287
Echinococcus granulosus	cyclin t1	0.0047	0.0584	0.0408
Toxoplasma gondii	methionine aminopeptidase	0.0146	0.2633	0.24
Leishmania major	mitotic cyclin, putative	0.0047	0.0584	0.0457
Echinococcus granulosus	integrin alpha ps	0.0066	0.0978	0.081
Trichomonas vaginalis	cyclin A, putative	0.0443	0.8773	0.8697
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0306	0.0306
Treponema pallidum	methionine aminopeptidase (map)	0.0146	0.2633	0.5
Loa Loa (eye worm)	RNA binding protein	0.0068	0.1012	0.1012
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0047	0.0584	0.0457
Loa Loa (eye worm)	cyclin domain-containing protein	0.0047	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.016	0.2921	0.2921
Trichomonas vaginalis	cyclins, putative	0.0443	0.8773	0.8697
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.1012	0.1012
Echinococcus multilocularis	cyclin dependent kinase 1	0.0502	1	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0146	0.2633	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0443	0.8773	0.8756
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0047	0.0584	0.0408
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0146	0.2633	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0713	0.0588
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0146	0.2633	0.2633
Echinococcus multilocularis	cyclin G2	0.0047	0.0584	0.0408
Trypanosoma brucei	cdc2-related kinase 3	0.0502	1	1
Toxoplasma gondii	cyclin, N-terminal domain-containing protein	0.0047	0.0584	0.0287
Echinococcus multilocularis	protein kinase shaggy	0.0197	0.3689	0.3571
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0315	0.6126	0.6074
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0197	0.3689	0.3571
Loa Loa (eye worm)	integrin beta-2	0.0439	0.8703	0.8703
Giardia lamblia	Kinase, CMGC CDK	0.0502	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0502	1	1
Leishmania major	mitotic cyclin, putative	0.0047	0.0584	0.0457
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0146	0.2633	0.5
Giardia lamblia	Kinase, CMGC GSK	0.0197	0.3689	0.3297
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.018	0.3332	0.3121
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1921	0.1921
Plasmodium vivax	cyclin homologue, putative	0.0047	0.0584	0.0584
Trichomonas vaginalis	cyclin B, putative	0.0443	0.8773	0.8697
Trichomonas vaginalis	cyclin B, putative	0.0196	0.3657	0.3264
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0502	1	1
Mycobacterium ulcerans	methionine aminopeptidase	0.0146	0.2633	1
Leishmania major	cyclin	0.0443	0.8773	0.8756
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1012	0.0844
Echinococcus multilocularis	cyclin dependent kinase 5	0.0502	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.5 nM	Inhibition of recombinant LFA1/ICAM1-IG interaction by time-resolved fluorimetry method	ChEMBL.	18778938

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: CHEMBL472841

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 976691