TDR Targets

Basic information

Technical information

TDR Targets ID: 455488
Name: (5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl ]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2 -one
MW: 456.536 | Formula: C27H28N4O3
H donors: 1 H acceptors: 2 LogP: 3.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(ccn2)[C@H]1OC(=O)N(C1)C1CCN(CC1)Cc1cc2c([nH]1)cccc2
InChi: 1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
InChiKey: CUWYXEKZVGDQDJ-SANMLTNESA-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

(5R)-3-[1-(1H-indol-2-ylmethyl)-4-piperidyl]-5-(6-methoxy-4-quinolyl)oxazolidin-2-one
(5R)-3-[1-(1H-indol-2-ylmethyl)-4-piperidinyl]-5-(6-methoxy-4-quinolyl)-2-oxazolidinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 8	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858

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
Mycobacterium ulcerans	thymidylate kinase	0.0296	0.6225	1
Schistosoma mansoni	voltage-gated potassium channel	0.0009	0.006	0.0097
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Brugia malayi	thymidylate kinase	0.0296	0.6225	1
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0296	0.6225	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.006	0.0097
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.006	0.006
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0091	0.0091
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0091	0.0146
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.006	0.0097
Brugia malayi	nuclear receptor NHR-88	0.001	0.0091	0.0146
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0091	0.0146
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0009	0.006	0.006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0091	0.0146
Plasmodium falciparum	thymidylate kinase	0.0296	0.6225	1
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0048	0.0892	0.0892
Toxoplasma gondii	methionine aminopeptidase	0.0048	0.0892	0.1432
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0091	0.0146
Schistosoma mansoni	thymidylate kinase	0.0296	0.6225	1
Trypanosoma brucei	thymidylate kinase, putative	0.0296	0.6225	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0091	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0116	0.2365	0.3799
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0048	0.0892	0.1432
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0091	0.0091
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0048	0.0892	0.1432
Giardia lamblia	CDC8	0.0296	0.6225	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0091	0.0146
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0009	0.006	0.006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0091	0.0146
Echinococcus multilocularis	neuropeptide s receptor	0.0472	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.07	0.1125
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0148	0.0148
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0048	0.0892	0.1432
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0091	0.0146
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0091	0.0091
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0048	0.0892	0.1432
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0048	0.0892	0.1432
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.006	0.0097
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0048	0.0892	0.1432
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0826	0.1328
Plasmodium vivax	thymidylate kinase, putative	0.0296	0.6225	1
Treponema pallidum	thymidylate kinase (tmk)	0.0296	0.6225	1
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0048	0.0892	0.1432
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0091	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Echinococcus multilocularis	neuropeptide receptor A26	0.0472	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.006	0.0097
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0091	0.0146
Brugia malayi	nuclear hormone receptor	0.001	0.0091	0.0146
Echinococcus granulosus	thymidylate kinase	0.0296	0.6225	0.6225
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0764	0.1227
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0091	0.0146
Onchocerca volvulus		0.001	0.0091	0.0146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0091	0.0146
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.006	0.0097
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.006	0.0097
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0009	0.006	0.0097
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.006	0.006
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0091	0.0091
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0091	0.0146
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0091	0.0146
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0091	0.0146
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0091	0.0146
Echinococcus granulosus	neuropeptide receptor A26	0.0472	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0764	0.1227
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0148	0.0238
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0091	0.0146
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0048	0.0892	0.1432
Trypanosoma brucei	methionine aminopeptidase, putative	0.0048	0.0892	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0148	0.0238
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0022	0.0035
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0091	0.0091
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.006	0.006
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0048	0.0892	0.0892
Entamoeba histolytica	Thymidylate kinase, putative	0.0296	0.6225	1
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0116	0.2365	0.3799
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0148	0.0148
Trypanosoma cruzi	thymidylate kinase, putative	0.0296	0.6225	1
Leishmania major	hypothetical protein, conserved	0.0116	0.2365	0.3799
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0091	0.0091
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0091	0.0146
Toxoplasma gondii	thymidylate kinase	0.0296	0.6225	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.006	0.0097
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0091	0.0146
Treponema pallidum	methionine aminopeptidase (map)	0.0048	0.0892	0.1432
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0048	0.0892	0.1432
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0048	0.0892	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0009	0.006	0.0097
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0091	0.0091
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.006	0.006
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0914	0.1469
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0048	0.0892	0.0892
Toxoplasma gondii	methionine aminopeptidase	0.0048	0.0892	0.1432
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0091	0.0146
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0091	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0091	0.0146
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0091	0.0146
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0091	0.0146
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0091	0.0146
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0091	0.0146
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0091	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0091	0.0146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0091	0.0146
Schistosoma mansoni	thymidylate kinase	0.0296	0.6225	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0091	0.0146
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.006	0.0097
Brugia malayi	ecdysteroid receptor	0.001	0.0091	0.0146
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0091	0.0091
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0091	0.0146
Schistosoma mansoni	coup transcription factor	0.001	0.0091	0.0146
Leishmania major	thymidylate kinase-like protein	0.0296	0.6225	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0091	0.0091
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0148	0.0148
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0296	0.6225	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0091	0.0091
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0091	0.0146
Chlamydia trachomatis	thymidylate kinase	0.0296	0.6225	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.006	0.0097
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0148	0.0238
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0048	0.0892	0.1432
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0048	0.0892	0.1432
Trichomonas vaginalis	thymidylate kinase, putative	0.0296	0.6225	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0914	0.1469
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0091	0.0146
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0091	0.0091
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0091	0.0091
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0048	0.0892	0.1432
Mycobacterium ulcerans	methionine aminopeptidase	0.0048	0.0892	0.1432
Loa Loa (eye worm)	thymidylate kinase	0.0296	0.6225	1
Trypanosoma brucei	thymidylate kinase, putative	0.0296	0.6225	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0091	0.0091
Schistosoma mansoni	60S ribosomal protein L21	0.0007	0.0022	0.0035
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0091	0.0146
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0009	0.006	0.006
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0048	0.0892	0.1432
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0091	0.0091
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0048	0.0892	0.1432
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.006	0.006
Trypanosoma cruzi	thymidylate kinase, putative	0.0296	0.6225	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0091	0.0146
Schistosoma mansoni	hypothetical protein	0.0296	0.6225	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0091	0.0146
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0826	0.0826
Chlamydia trachomatis	methionine aminopeptidase	0.0048	0.0892	0.1432
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0091	0.0146
Brugia malayi	Methionine aminopeptidase protein type I	0.0048	0.0892	0.1432
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0826	0.1328
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0009	0.006	0.006
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0048	0.0892	0.1432
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0009	0.006	0.006
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0148	0.0148
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0091	0.0146
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0091	0.0091
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0296	0.6225	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0091	0.0146
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0091	0.0091
Echinococcus multilocularis	thymidylate kinase	0.0296	0.6225	0.6225
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0091	0.0091
Trichomonas vaginalis	thymidylate kinase, putative	0.0296	0.6225	1
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0048	0.0892	0.1432
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0091	0.0146
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.006	0.006
Brugia malayi	steroid hormone receptor	0.001	0.0091	0.0146
Onchocerca volvulus	Putative thymidylate kinase	0.0296	0.6225	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0091	0.0146
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0048	0.0892	0.1432
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0148	0.0238
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0048	0.0892	0.1432
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0826	0.0826

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antagonist activity at mouse CCR8 by FLIPR assay	ChEMBL.	17267215
Activity (functional)	0	Antagonist activity at mouse CCR8 by FLIPR assay	ChEMBL.	17267215
Activity (functional)	0	Antagonist activity at rat CCR8 by FLIPR assay	ChEMBL.	17267215
Activity (functional)	0	Antagonist activity at guinea pig CCR8 by FLIPR assay	ChEMBL.	17267215
CL (ADMET)	= 38 ml/min.kg	Clearance in mouse blood at 1 mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215
CL (ADMET)	= 38 ml/min.kg	Clearance in mouse blood at 1 mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215
CL (ADMET)	= 7 ml/min/g	Intrinsic clearance in human liver microsome	ChEMBL.	17267215
CL (ADMET)	= 7 ml/min/g	Intrinsic clearance in rat liver microsome	ChEMBL.	17267215
F (ADMET)	= 18 %	Oral bioavailability in mouse at 2 mg/kg	ChEMBL.	17267215
F (ADMET)	= 18 %	Oral bioavailability in mouse at 2 mg/kg	ChEMBL.	17267215
IC50 (functional)	= -7.7	Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FLIPR assay	ChEMBL.	17267215
IC50 (functional)	= -7	Antagonist activity at human recombinant CCR8 expressed in Th2 cells assessed as I309 mediated migration by chemotaxis assay	ChEMBL.	17267215
IC50 (functional)	= -6.3	Antagonist activity at human recombinant CCR8 expressed in HUT78 cells assessed as I309-mediated migration by chemotaxis assay	ChEMBL.	17267215
IC50	= -5.8	Inhibition of hERG	ChEMBL.	17267215
Log IC50 (ADMET)	< 5.1	Inhibition of CYP450	ChEMBL.	17267215
Log IC50	= 5.8	Inhibition of hERG	ChEMBL.	17267215
Log IC50 (functional)	= 6.3	Antagonist activity at human recombinant CCR8 expressed in HUT78 cells assessed as I309-mediated migration by chemotaxis assay	ChEMBL.	17267215
Log IC50 (functional)	= 7	Antagonist activity at human recombinant CCR8 expressed in Th2 cells assessed as I309 mediated migration by chemotaxis assay	ChEMBL.	17267215
Log IC50 (functional)	= 7.7	Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FLIPR assay	ChEMBL.	17267215
Selectivity ratio (binding)	= 79	Selectivity for hERG over CCR8	ChEMBL.	17267215
t1/2 (ADMET)	= 1 hr	Half life in mouse at 1mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215
T1/2 (ADMET)	= 1 hr	Half life in mouse at 1mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215
Vdss (ADMET)	= 2.4 L/Kg	Volume of distribution at steady state in mouse at 1mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215
Vdss (ADMET)	= 2.4 L/Kg	Volume of distribution at steady state in mouse at 1mg/kg, iv or 2 mg/kg, po	ChEMBL.	17267215

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: CHEMBL245568
PubChem: 16112836

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 455488