TDR Targets

Basic information

Technical information

TDR Targets ID: 172200
Name: 1,7-Annulated indolocarbazole deriv. 13Bb
MW: 413.401 | Formula: C24H16FN3O3
H donors: 3 H acceptors: 3 LogP: 3.24 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OCC1Cc2cccc3c2n(C1)c1c2[nH]c4c(c2c2c(c31)c(=O)[nH]c2=O)ccc(c4)F
InChi: 1S/C24H16FN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
InChiKey: CUURVHIMRYQQCQ-UHFFFAOYSA-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	protein kinase, cAMP-dependent, catalytic, alpha		References
Homo sapiens	cyclin D1	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 3		References
Homo sapiens	cyclin E1		References
Homo sapiens	protein kinase, cAMP-dependent, catalytic, gamma	Starlite/ChEMBL	References
Homo sapiens	cyclin E2	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 4		References
Homo sapiens	protein kinase, cAMP-dependent, catalytic, beta		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_133273	All targets in OG5_133273
Candida albicans	protein kinase A	Get druggable targets OG5_126748	All targets in OG5_126748
Echinococcus granulosus	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	Protein kinase DC2, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	cAMP-dependent protein kinase catalytic subunit alpha, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	Get druggable targets OG5_126748	All targets in OG5_126748
Echinococcus granulosus	enhancer of mRNA decapping protein 4	Get druggable targets OG5_126748	All targets in OG5_126748
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, AGC PKA	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126748	All targets in OG5_126748
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	AGC/PKA protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma congolense	cAMP-dependent protein kinase catalytic subunit 1	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium knowlesi	Cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	protein kinase A catalytic subunit isoform 2	Get druggable targets OG5_126748	All targets in OG5_126748
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	cAMP-dependent protein kinase catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium berghei	cAMP-dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Cryptosporidium parvum	protein kinase, cAMP-dependent, catalytic chain	Get druggable targets OG5_126748	All targets in OG5_126748
Theileria parva	cAMP-dependent protein kinase, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Neospora caninum	AGC kinase, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania mexicana	protein kinase A catalytic subunit isoform 1	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	AGC/PKA protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Cryptosporidium hominis	protein kinase (EC 2.7.1.37), cAMP-dependent, catalytic chain	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	cyclin domain-containing protein	Get druggable targets OG5_133273	All targets in OG5_133273
Schistosoma japonicum	ko:K04345 protein kinase A, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium knowlesi	cAMP-dependent protein kinase catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium berghei	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma brucei	protein kinase A catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma brucei gambiense	protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	Get druggable targets OG5_126748	All targets in OG5_126748
Neospora caninum	AGC kinase, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Toxoplasma gondii	AGC kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	cAMP-dependent protein kinase catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	cAMP-dependent protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania infantum	protein kinase A catalytic subunit isoform 1	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	protein kinase A	Get druggable targets OG5_126748	All targets in OG5_126748
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania mexicana	protein kinase A catalytic subunit isoform 2	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	cAMP-dependent protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma brucei gambiense	protein kinase A catalytic subunit isoform 2,protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania braziliensis	protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	protein kinase A catalytic subunit isoform 1,protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	protein kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	protein kinase A catalytic subunit 3	Get druggable targets OG5_126748	All targets in OG5_126748
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	protein kinase A catalytic subunit isoform 2	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	protein kinase A catalytic subunit isoform 1	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma congolense	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	protein kinase A catalytic subunit 3	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma congolense	cAMP-dependent protein kinase catalytic subunit 1	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania mexicana	protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	AGC kinase	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	ko:K04345 protein kinase A, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania braziliensis	protein kinase A catalytic subunit isoform 1	Get druggable targets OG5_126748	All targets in OG5_126748
Leishmania major	protein kinase A catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Babesia bovis	cell division control protein 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	Get druggable targets OG5_126748	All targets in OG5_126748
Schistosoma japonicum	cAMP-dependent protein kinase catalytic subunit alpha, putative	Get druggable targets OG5_126748	All targets in OG5_126748

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 4	303 aa	312 aa	29.8 %
Trypanosoma brucei	protein lipid droplet kinase (LDK)	protein kinase, cAMP-dependent, catalytic, beta	358 aa	320 aa	27.8 %
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 3	305 aa	303 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	cyclin B, putative	0.0064	0.0146	0.0114
Trichomonas vaginalis	cyclin B, putative	0.0064	0.0146	0.0114
Brugia malayi	SWIB/MDM2 domain containing protein	0.0927	1	1
Leishmania major	hypothetical protein, conserved	0.033	0.3178	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0927	1	1
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Loa Loa (eye worm)	cyclin domain-containing protein	0.0064	0.0146	0.0146
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.1091	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1091	0.1091
Onchocerca volvulus		0.033	0.3178	0.3077
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0064	0.0146	0.0362
Schistosoma mansoni	brg-1 associated factor	0.0927	1	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0927	1	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Loa Loa (eye worm)	hypothetical protein	0.033	0.3178	0.3178
Echinococcus granulosus	cyclins	0.0064	0.0146	0.0114
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0064	0.0146	0.0362
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0064	0.0146	0.0114
Leishmania major	hypothetical protein, conserved	0.033	0.3178	1
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.0144	0.1059	0.103
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0064	0.0146	0.0114
Echinococcus granulosus	cyclin b3	0.0064	0.0146	0.0114
Leishmania major	cyclin	0.0064	0.0146	0.0362
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.033	0.3178	1
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Trypanosoma brucei	mitotic cyclin 6	0.0064	0.0146	0.0362
Plasmodium falciparum	cyclin	0.0064	0.0146	0.0114
Trypanosoma cruzi	hypothetical protein, conserved	0.033	0.3178	1
Trichomonas vaginalis	cyclin B, putative	0.0064	0.0146	0.0114
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.033	0.3178	1
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.0144	0.1059	0.103
Schistosoma mansoni	cyclin B	0.0064	0.0146	0.0114
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0064	0.0146	0.0114
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0147	0.1091	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0927	1	1
Echinococcus multilocularis	ring and YY1 binding protein	0.033	0.3178	0.3156
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.033	0.3178	1
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Loa Loa (eye worm)	hypothetical protein	0.033	0.3178	0.3178
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.033	0.3178	0.3156
Schistosoma mansoni	zinc finger protein	0.033	0.3178	0.3156
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0147	0.1091	0.3366
Onchocerca volvulus		0.033	0.3178	0.3077
Giardia lamblia	Kinase, AGC PKA	0.0147	0.1091	1
Trichomonas vaginalis	cyclins, putative	0.0064	0.0146	0.0114
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0927	1	1
Onchocerca volvulus		0.033	0.3178	0.3077
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.033	0.3178	1
Leishmania major	hypothetical protein, conserved	0.033	0.3178	1
Trichomonas vaginalis	cyclin A, putative	0.0064	0.0146	0.0114
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0927	1	1
Echinococcus multilocularis	cyclin b3	0.0064	0.0146	0.0114
Trypanosoma cruzi	hypothetical protein, conserved	0.033	0.3178	1
Leishmania major	protein kinase A catalytic subunit	0.0147	0.1091	0.3366
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0927	1	1
Chlamydia trachomatis	DNA topoisomerase I	0.0927	1	0.5
Trypanosoma cruzi	cyclin, putative	0.0064	0.0146	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0146	0.0146
Schistosoma mansoni	hypothetical protein	0.0927	1	1
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0147	0.1091	0.1062
Onchocerca volvulus		0.033	0.3178	0.3077
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0927	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0927	1	1
Echinococcus granulosus	cyclins	0.0064	0.0146	0.0114
Trypanosoma brucei	hypothetical protein, conserved	0.033	0.3178	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0054	0.0032	0.0032
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0064	0.0146	0.0114
Echinococcus granulosus	Zinc finger RanBP2 type	0.033	0.3178	0.3156
Trichomonas vaginalis	cyclin D, putative	0.0064	0.0146	0.0114
Trypanosoma brucei	hypothetical protein, conserved	0.033	0.3178	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0147	0.1091	0.1091
Trypanosoma cruzi	cyclin 6, putative	0.0064	0.0146	0.0362
Echinococcus granulosus	cyclins	0.0064	0.0146	0.0114
Echinococcus granulosus	cyclin B3 1	0.0064	0.0146	0.0114
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0147	0.1091	0.3366
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0064	0.0146	0.0114
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Schistosoma mansoni	hypothetical protein	0.0927	1	1
Schistosoma mansoni	cyclin B3	0.0064	0.0146	0.0114
Toxoplasma gondii	AGC kinase	0.0147	0.1091	0.1062
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0147	0.1091	0.3366
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.033	0.3178	1
Trichomonas vaginalis	cyclin B, putative	0.0064	0.0146	0.0114
Echinococcus multilocularis	cyclin B3 1	0.0064	0.0146	0.0114
Schistosoma mansoni	cyclins	0.0064	0.0146	0.0114
Entamoeba histolytica	cyclin, putative	0.0064	0.0146	0.1075
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.033	0.3178	0.3156
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0927	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.033	0.3178	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0054	0.0032	0.0032
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0147	0.1091	0.1091
Trichomonas vaginalis	cyclins, putative	0.0064	0.0146	0.0114
Onchocerca volvulus		0.0927	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.033	0.3178	0.3156
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.033	0.3178	0.3156
Trichomonas vaginalis	cyclins, putative	0.0064	0.0146	0.0114
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.1091	0.1062
Echinococcus granulosus	cyclins	0.0064	0.0146	0.0114
Brugia malayi	YY1-associated factor 2	0.033	0.3178	0.3156
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0147	0.1091	0.3366
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0927	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.033	0.3178	0.3156
Loa Loa (eye worm)	hypothetical protein	0.033	0.3178	0.3178
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Echinococcus granulosus	SWI:SNF matrix associated	0.0927	1	1
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.033	0.3178	0.3156
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0147	0.1091	0.1062
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.033	0.3178	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0301	0.2845	0.2822
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.033	0.3178	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.033	0.3178	0.3156
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0147	0.1091	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.033	0.3178	0.3077
Echinococcus granulosus	zinc finger protein Ran binding	0.033	0.3178	0.3156
Toxoplasma gondii	AGC kinase	0.0147	0.1091	0.1062
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0147	0.1091	0.3366
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Schistosoma mansoni	fusion	0.033	0.3178	0.3156
Loa Loa (eye worm)	cyclin domain-containing protein	0.0301	0.2845	0.2845
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Giardia lamblia	Hypothetical protein	0.0064	0.0146	0.1075
Trichomonas vaginalis	cyclin B, putative	0.0064	0.0146	0.0114
Echinococcus multilocularis	SWI:SNF matrix associated	0.0927	1	1
Trichomonas vaginalis	cyclins, putative	0.0064	0.0146	0.0114
Loa Loa (eye worm)	hypothetical protein	0.033	0.3178	0.3178
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.033	0.3178	0.3156
Echinococcus multilocularis	cyclin B	0.0064	0.0146	0.0114
Trichomonas vaginalis	cyclin B3, putative	0.0064	0.0146	0.0114
Leishmania major	hypothetical protein, conserved	0.033	0.3178	1
Loa Loa (eye worm)	brahma associated protein	0.0927	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0927	1	1
Giardia lamblia	Cyclin A	0.0064	0.0146	0.1075
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.033	0.3178	0.3156
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0147	0.1091	0.1062
Trichomonas vaginalis	cyclins, putative	0.0064	0.0146	0.0114
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0147	0.1091	0.3366
Schistosoma mansoni	TRABID protein (C64 family)	0.033	0.3178	0.3156
Schistosoma mansoni	RNA binding protein	0.033	0.3178	0.3156
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0146	0.0114
Trypanosoma cruzi	cyclin, putative	0.0064	0.0146	0.0362
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.1091	0.1062
Echinococcus multilocularis	zinc finger protein Ran binding	0.033	0.3178	0.3156
Echinococcus granulosus	cyclins	0.0064	0.0146	0.0114
Entamoeba histolytica	cyclin family protein	0.0064	0.0146	0.1075
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0147	0.1091	0.3366
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0147	0.1091	0.3366
Trichomonas vaginalis	AGC family protein kinase	0.0147	0.1091	0.1062
Trypanosoma cruzi	WLM domain containing protein, putative	0.033	0.3178	1
Leishmania major	hypothetical protein, conserved	0.033	0.3178	1
Chlamydia trachomatis	SWIB complex protein	0.0927	1	0.5
Schistosoma mansoni	hypothetical protein	0.033	0.3178	0.3156
Entamoeba histolytica	cyclin family protein	0.0064	0.0146	0.1075
Entamoeba histolytica	cyclin, putative	0.0064	0.0146	0.1075
Toxoplasma gondii	ran binding protein	0.033	0.3178	0.3156
Giardia lamblia	G2/mitotic-specific cyclin B	0.0064	0.0146	0.1075
Trypanosoma cruzi	WLM domain containing protein, putative	0.033	0.3178	1
Schistosoma mansoni	hypothetical protein	0.0927	1	1
Trichomonas vaginalis	cyclin D, putative	0.0064	0.0146	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0927	1	1
Brugia malayi	brahma associated protein 60 kDa	0.0927	1	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0146	0.0146
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0147	0.1091	0.3366
Echinococcus granulosus	ring and YY1 binding protein	0.033	0.3178	0.3156
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0054	0.0032	0.0032
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0147	0.1091	0.1062
Loa Loa (eye worm)	hypothetical protein	0.033	0.3178	0.3178
Echinococcus granulosus	cyclin B	0.0064	0.0146	0.0114
Echinococcus multilocularis	cyclins	0.0064	0.0146	0.0114

Activities

Activity type	Activity value	Assay description	Source	Reference
Fold increase (functional)	= 1.67	G1 cell cycle arrest (fold increase over control) in HCT-116 cells at IC50	ChEMBL.	15149644
Fold increase (functional)	= 2.32	G1 cell cycle arrest (fold increase over control) in HCT-116 cells at 3*IC50	ChEMBL.	15149644
IC50 (binding)	= 0.022 uM	Inhibition of Cyclin D1-cyclin-dependent kinase 4.	ChEMBL.	15149644
IC50 (binding)	= 0.022 uM	Inhibition of Cyclin D1-cyclin-dependent kinase 4.	ChEMBL.	15149644
IC50 (binding)	= 0.141 uM	Inhibition of Cyclin E-cyclin-dependent kinase 2 mediated RbING-phosphorylation	ChEMBL.	15149644
IC50 (binding)	= 0.141 uM	Inhibition of Cyclin E-cyclin-dependent kinase 2 mediated RbING-phosphorylation	ChEMBL.	15149644
IC50 (functional)	= 0.36 uM	Antiproliferative activity against HCT-116 (human colon carcinoma) cell line.	ChEMBL.	15149644
IC50 (functional)	= 0.36 uM	Antiproliferative activity against HCT-116 (human colon carcinoma) cell line.	ChEMBL.	15149644
IC50 (functional)	= 0.43 uM	Antiproliferative activity against NCIH-460 (human lung) cell line.	ChEMBL.	15149644
IC50 (functional)	= 0.43 uM	Antiproliferative activity against NCIH-460 (human lung) cell line.	ChEMBL.	15149644
IC50 (binding)	> 2 uM	Inhibition of protein kinase A mediated histone phosphorylation	ChEMBL.	15149644
IC50 (binding)	> 2 uM	Inhibition of protein kinase A mediated histone phosphorylation	ChEMBL.	15149644
Inhibition (functional)	= 25 %	Inhibition of CDK4-specific Rb-S780 phosphorylation of HCT-116 cells at 1xIC50 for 24 hr	ChEMBL.	15149644
Inhibition (functional)	= 25 %	Inhibition of CDK4-specific Rb-S780 phosphorylation of HCT-116 cells at 1xIC50 for 24 hr	ChEMBL.	15149644
Inhibition (functional)	= 33 %	Inhibition of CDK4-specific Rb-S780 phosphorylation of HCT-116 cells at 2xIC50 for 24 hr	ChEMBL.	15149644
Inhibition (functional)	= 33 %	Inhibition of CDK4-specific Rb-S780 phosphorylation of HCT-116 cells at 2xIC50 for 24 hr	ChEMBL.	15149644
S	= 0.89 mg ml-1	Solubility measured in 10% solution in EtOH.	ChEMBL.	15149644

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15149644

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: CHEMBL104941
PubChem: 5330692

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 172200