TDR Targets

Basic information

Technical information

TDR Targets ID: 423783
Name: 2-(3-chloroanilino)-N-(pyridin-4-ylmethyl)-4- (trifluoromethyl)pyrimidine-5-carboxamide
MW: 407.777 | Formula: C18H13ClF3N5O
H donors: 2 H acceptors: 4 LogP: 3.33 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)Nc1ncc(c(n1)C(F)(F)F)C(=O)NCc1ccncc1
InChi: 1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)
InChiKey: HLCPJLIYGNWTAI-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

2-(3-chloroanilino)-N-(4-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
2-(3-chloroanilino)-N-(4-pyridylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
2-[(3-chlorophenyl)amino]-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
2-[(3-chlorophenyl)amino]-N-(4-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
2-[(3-chlorophenyl)amino]-N-(4-pyridylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cannabinoid receptor 1 (brain)	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serine:threonine protein kinase N2	0.0066	0.0778	0.2617
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0021	0.0121	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0021	0.0121	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0191	0.2593	1
Leishmania major	phosphatidylinositol-specific phospholipase-like protein	0.002	0.0108	0.031
Loa Loa (eye worm)	hypothetical protein	0.0402	0.5682	1
Brugia malayi	Telomerase reverse transcriptase	0.0507	0.7217	1
Schistosoma mansoni	cytochrome P450	0.0021	0.0121	0.0409
Echinococcus granulosus	Protein kinase C brain isozyme	0.0068	0.0796	0.2678
Leishmania major	cytochrome p450-like protein	0.0032	0.0276	0.0966
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0076	0.0915	0.1268
Loa Loa (eye worm)	phosphatidylinositol 3	0.0035	0.0321	0.0519
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0216	0.2968	1
Brugia malayi	SH2 domain containing protein	0.0402	0.5682	0.7873
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0038	0.0371	0.0514
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0066	0.0778	0.1326
Brugia malayi	p70 ribosomal S6 kinase beta	0.0194	0.2635	0.3651
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0021	0.0121	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0276	0.0966
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0138	0.1827	0.655
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.004	0.0389	0.1311
Entamoeba histolytica	protein kinase 2, putative	0.0129	0.1688	0.6043
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0276	0.0438
Toxoplasma gondii	RNA-directed DNA polymerase	0.0191	0.2593	0.9838
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0066	0.0778	0.255
Schistosoma mansoni	serine/threonine kinase	0.0066	0.0778	0.2621
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0021	0.0121	0.5
Leishmania major	cytochrome p450-like protein	0.0021	0.0121	0.0363
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0121	0.0363
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0115	0.1489	0.5695
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0056	0.062	0.1747
Brugia malayi	Cytochrome P450 family protein	0.0067	0.0794	0.11
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0129	0.1688	0.5645
Brugia malayi	Protein kinase domain containing protein	0.0066	0.0778	0.1078
Toxoplasma gondii	AGC kinase	0.0194	0.2635	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0276	0.0438
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0276	0.0438
Echinococcus multilocularis	serine threonine protein kinase	0.0068	0.0796	0.2611
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.0022	0.0126	0.0419
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0021	0.0121	0.0363
Echinococcus granulosus	protein kinase C gamma type	0.0068	0.0796	0.2678
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0068	0.0796	0.1358
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0066	0.0778	0.255
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0127	0.1667	0.5574
Leishmania major	phosphoinositide-specific phospholipase C, putative	0.002	0.0108	0.031
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0138	0.1827	0.7012
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0021	0.0121	0.5
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0191	0.2593	1
Leishmania major	phospholipase c-like protein	0.0022	0.0126	0.038
Echinococcus multilocularis		0.0021	0.0121	0.0317
Giardia lamblia	Telomerase catalytic subunit	0.0191	0.2593	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0101	0.1289	0.1786
Brugia malayi	Hr1 repeat family protein	0.0066	0.0778	0.1078
Plasmodium falciparum	telomerase reverse transcriptase	0.0191	0.2593	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0021	0.0121	0.5
Schistosoma mansoni	phospholipase C beta	0.002	0.0108	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0778	0.2621
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0066	0.0778	0.2617
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0066	0.0778	0.255
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0165	0.2214	0.3867
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0897	0.1537
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0022	0.0126	0.0172
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0066	0.0778	0.255
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0066	0.0778	0.2617
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0129	0.1688	0.5685
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0092	0.1146	0.407
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0015	0.0028	0.009
Brugia malayi	1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4	0.002	0.0108	0.0149
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0115	0.1489	0.5695
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0066	0.0778	0.2617
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0079	0.0963	0.3404
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0401	0.066
Plasmodium vivax	phospholipase C-like, putative	0.002	0.0108	0.031
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0796	0.2681
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0138	0.1827	0.655
Trypanosoma cruzi	Protein kinase B	0.0138	0.1827	0.7012
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0121	0.0168
Echinococcus multilocularis	nervana 2	0.0127	0.1667	0.5574
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0778	0.2621
Leishmania major	cytochrome p450-like protein	0.0021	0.0121	0.0363
Brugia malayi	Protein kinase domain containing protein	0.0203	0.2774	0.3844
Echinococcus granulosus	Glutaredoxin protein 5	0.0127	0.1667	0.5614
Loa Loa (eye worm)	cytochrome P450 family protein	0.0067	0.0794	0.1355
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0021	0.0121	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0021	0.0121	0.0405
Mycobacterium leprae	Conserved hypothetical protein	0.0021	0.0121	0.5
Mycobacterium leprae	putative cytochrome p450	0.0021	0.0121	0.5
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0022	0.0126	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0778	0.1326
Trypanosoma brucei	telomerase reverse transcriptase	0.0191	0.2593	0.934
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0105	0.1337	0.4453
Echinococcus multilocularis	expressed conserved protein	0.0096	0.1208	0.4014
Echinococcus granulosus	nervana 2	0.0127	0.1667	0.5614
Entamoeba histolytica	protein kinase, putative	0.0203	0.2774	1
Echinococcus granulosus	protein kinase c epsilon type	0.0068	0.0796	0.2678
Brugia malayi	Variant SH3 domain containing protein	0.0165	0.2214	0.3068
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0021	0.0121	0.5
Brugia malayi	Protein kinase domain containing protein	0.0066	0.0778	0.1078
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0038	0.0371	0.1249
Plasmodium falciparum	phosphoinositide-specific phospholipase C	0.002	0.0108	0.031
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0021	0.0121	0.5
Echinococcus granulosus	serine/threonine protein kinase	0.0138	0.1827	0.6153
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0066	0.0778	0.1326
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0127	0.1667	0.5614
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.0276	0.0902
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0115	0.1489	0.5319
Echinococcus multilocularis	rac serine:threonine kinase	0.0138	0.1827	0.6118
Entamoeba histolytica	protein kinase, putative	0.0194	0.2635	0.9494
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0778	0.2621
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0021	0.0121	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0115	0.1489	0.5319
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0038	0.0371	0.1249
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0276	0.0382
Toxoplasma gondii	phosphoinositide phospholipase PIPLC	0.0022	0.0126	0.0374
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0216	0.2968	1
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0038	0.0371	0.1249
Echinococcus multilocularis	protein kinase c iota type	0.0066	0.0778	0.255
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0021	0.0121	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0778	0.273
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0121	0.0363
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0021	0.0121	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0126	0.0172
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0115	0.1489	0.5319
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0078	0.0087
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0129	0.1688	0.647
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0038	0.0371	0.1249
Loa Loa (eye worm)	cytochrome P450	0.0021	0.0121	0.0165
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0066	0.0778	0.1326
Echinococcus granulosus	expressed conserved protein	0.0096	0.1208	0.4068
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.0276	1
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.002	0.0108	0.0149
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0112	0.1439	0.5138
Entamoeba histolytica	protein kinase, putative	0.0066	0.0778	0.273
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0021	0.0121	0.5
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0021	0.0121	0.0363
Echinococcus granulosus	nervana 2	0.0127	0.1667	0.5614
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0075	0.0897	0.3019
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0129	0.1688	0.647
Entamoeba histolytica	hypothetical protein	0.0092	0.1146	0.407
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0015	0.0028	0.009
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0066	0.0778	0.255
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0276	0.0966
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0191	0.2593	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0121	0.0409
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0216	0.2968	1
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0917	0.3236
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0066	0.0778	0.1326
Echinococcus multilocularis	Glutaredoxin protein 5	0.0127	0.1667	0.5574
Loa Loa (eye worm)	Plcb4 protein	0.002	0.0108	0.0141
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0021	0.0121	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0778	0.2621
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0021	0.0121	0.5
Trypanosoma cruzi	phosphoinositide-specific phospholipase C, putative	0.0022	0.0126	0.038
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0021	0.0121	0.5
Echinococcus granulosus	serine threonine protein kinase nrc	0.0129	0.1688	0.5685
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0194	0.2635	0.4611
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0015	0.0028	0.0095
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0796	0.2681
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0021	0.0121	0.0357
Brugia malayi	cytochrome P450	0.0021	0.0121	0.0168
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0021	0.0121	0.0339
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Brugia malayi	protein kinase C II.	0.0068	0.0796	0.1103
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0021	0.0121	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0021	0.0121	0.5
Schistosoma mansoni	hypothetical protein	0.0096	0.1208	0.4071
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0021	0.0121	0.5
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0066	0.0778	0.255
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0075	0.0897	0.2956
Schistosoma mansoni	atypical protein kinase C	0.0066	0.0778	0.2621
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0015	0.0028	0.0095
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0038	0.0371	0.1249
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0079	0.0963	0.3404
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0066	0.0778	0.1326
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0038	0.0371	0.1337
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0038	0.0371	0.1249
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.2774	1
Giardia lamblia	Kinase, AGC PKA	0.0129	0.1688	0.6214
Echinococcus multilocularis	nervana 2	0.0127	0.1667	0.5574
Echinococcus granulosus	NDR protein kinase	0.0066	0.0778	0.2617
Trypanosoma brucei	phosphoinositide-specific phospholipase C	0.0022	0.0126	0.0355
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0796	0.2681
Entamoeba histolytica	protein kinase, putative	0.0203	0.2774	1
Echinococcus granulosus	protein kinase c iota type	0.0066	0.0778	0.2617
Leishmania major	telomerase reverse transcriptase, putative	0.0191	0.2593	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0065	0.0757	0.2654
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.0022	0.0126	0.0331
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0015	0.0028	0.0039
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0203	0.2774	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0126	0.0172
Loa Loa (eye worm)	phosphatidylinositol 3	0.0193	0.2625	0.4593
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0051	0.0554	0.1915
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0115	0.1489	0.2063
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0035	0.0321	0.1143
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0203	0.2774	0.4857
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0276	0.0382
Schistosoma mansoni	serine/threonine-protein kinase	0.0138	0.1827	0.6155
Schistosoma mansoni	serine/threonine-protein kinase	0.0138	0.1827	0.6155
Schistosoma mansoni	vav2	0.0018	0.0078	0.0261
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0778	0.273
Loa Loa (eye worm)	hypothetical protein	0.002	0.0108	0.0141
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0105	0.1337	0.4503
Echinococcus multilocularis	protein kinase c epsilon type	0.0068	0.0796	0.2611
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0068	0.0796	0.2611
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0778	0.273
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0021	0.0121	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0115	0.1489	0.5319
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0129	0.1688	0.647

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 30 nM	Agonist activity at human CB1 receptor expressed in Saccharomyces cerevisiae MMY23 using fluorescein di-beta-D-glucopyranoside as substrate after 24 hrs by fluorescence-based assay	ChEMBL.	23865723
EC50 (binding)	= 50 nM	Agonist activity at human CB2 receptor expressed in Saccharomyces cerevisiae MMY23 using fluorescein di-beta-D-glucopyranoside as substrate after 24 hrs by fluorescence-based assay	ChEMBL.	23865723
EC50 (functional)	= 60 nM	Agonist activity at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells	ChEMBL.	17477516
EC50 (functional)	= 60 nM	Agonist activity at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells	ChEMBL.	17477516
Efficacy (binding)	= 94 %	Efficacy at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells relative to HU210	ChEMBL.	17477516
Efficacy (binding)	= 94 %	Efficacy at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells relative to HU210	ChEMBL.	17477516
IC50 (ADMET)	< 0.1 uM	Inhibition of human CYP2D6	ChEMBL.	17477516
IC50 (ADMET)	< 0.1 uM	Inhibition of human CYP3A4	ChEMBL.	17477516
IC50 (ADMET)	< 0.1 uM	Inhibition of human CYP2D6	ChEMBL.	17477516
IC50 (ADMET)	< 0.1 uM	Inhibition of human CYP3A4	ChEMBL.	17477516
IC50 (ADMET)	= 0.4 uM	Inhibition of human CYP1A2	ChEMBL.	17477516
IC50 (ADMET)	= 0.4 uM	Inhibition of human CYP1A2	ChEMBL.	17477516
IC50 (ADMET)	= 0.9 uM	Inhibition of human CYP2C9	ChEMBL.	17477516
IC50 (ADMET)	= 0.9 uM	Inhibition of human CYP2C9	ChEMBL.	17477516
IC50 (ADMET)	= 1.9 uM	Inhibition of human CYP2C19	ChEMBL.	17477516
IC50 (ADMET)	= 1.9 uM	Inhibition of human CYP2C19	ChEMBL.	17477516

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: CHEMBL375955
PubChem: 10454092

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 423783