TDR Targets

Basic information

Technical information

TDR Targets ID: 202438
Name: 4-(4-imidazol-1-ylphenoxy)thieno[2,3-c]pyridi ne-2-carboxamide
MW: 336.368 | Formula: C17H12N4O2S
H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1sc2c(c1)c(cnc2)Oc1ccc(cc1)n1cncc1
InChi: 1S/C17H12N4O2S/c18-17(22)15-7-13-14(8-20-9-16(13)24-15)23-12-3-1-11(2-4-12)21-6-5-19-10-21/h1-10H,(H2,18,22)
InChiKey: PHWOURNMMDMHIU-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

4-[4-(1-imidazolyl)phenoxy]-2-thieno[2,3-c]pyridinecarboxamide
4-(4-imidazol-1-ylphenoxy)thieno[5,4-c]pyridine-2-carboxamide
4-[4-(1-imidazolyl)phenoxy]-2-thieno[5,4-c]pyridinecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	selectin E	Starlite/ChEMBL	References
Homo sapiens	intercellular adhesion molecule 1	Starlite/ChEMBL	References
Homo sapiens	vascular cell adhesion molecule 1	Starlite/ChEMBL	References
Trypanosoma cruzi	trypanothione reductase, putative	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	trypanothione reductase, putative	492 aa	548 aa	21.5 %
Echinococcus granulosus	c4b binding protein beta chain	selectin E	610 aa	551 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0042	0.1616	0.2294
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1
Brugia malayi	Cell death protein 3 precursor	0.0097	0.4835	0.4817
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0035	0.0035
Echinococcus granulosus	thioredoxin glutathione reductase	0.0076	0.363	0.5239
Loa Loa (eye worm)	thioredoxin reductase	0.0076	0.363	0.363
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.0212	0.0585
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0026	0.0709	0.1667
Plasmodium falciparum	metacaspase 1	0.005	0.2098	0.4757
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.1616	0.2333
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.2098	0.4757
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.1616	0.7703
Echinococcus granulosus	caspase 8	0.005	0.2098	0.3029
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.0212	0.0585
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Schistosoma mansoni	aryl hydrocarbon receptor	0.0055	0.2391	0.3418
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0088	0.0088
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0026	0.0709	0.0677
Plasmodium vivax	hypothetical protein, conserved	0.005	0.2098	0.4757
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0047	0.1897	0.2737
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0026	0.0709	0.1667
Echinococcus multilocularis	caspase	0.0132	0.6928	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0076	0.363	0.5239
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0019	0.0298	0.0264
Brugia malayi	Cytochrome P450 family protein	0.0018	0.0212	0.0178
Echinococcus granulosus	caspase	0.0132	0.6928	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.3193	1
Trypanosoma brucei	Metacaspase-4	0.005	0.2098	0.5519
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0076	0.363	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0042	0.1616	0.2333
Brugia malayi	PAS domain containing protein	0.0055	0.2391	0.2365
Echinococcus multilocularis	caspase 3	0.0082	0.399	0.5759
Echinococcus multilocularis	caspase 8	0.005	0.2098	0.3029
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.005	0.2098	0.2071
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0709	0.1954
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0446	0.0446
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.0212	0.0212
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.3193	1
Brugia malayi	glutathione reductase	0.0076	0.363	0.3607
Treponema pallidum	NADH oxidase	0.0026	0.0709	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Trypanosoma cruzi	trypanothione reductase, putative	0.0026	0.0709	0.1954
Loa Loa (eye worm)	hypothetical protein	0.0185	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1616	0.1616
Schistosoma mansoni	caspase-3 (C14 family)	0.0132	0.6928	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.3193	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0026	0.0709	0.1954
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0042	0.1616	0.4453
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Onchocerca volvulus	Cell death protein 3 homolog	0.0097	0.4835	1
Brugia malayi	bHLH-PAS transcription factor	0.0041	0.1552	0.1522
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1616	0.7703
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0709	0.5
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.005	0.2098	0.2993
Echinococcus granulosus	caspase 3	0.0082	0.399	0.5759
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1897	0.1897
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.3193	0.8505
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.2098	0.4757
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.1667
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.1454
Brugia malayi	hypoxia-induced factor 1	0.017	0.916	0.9157
Plasmodium vivax	thioredoxin reductase, putative	0.0076	0.363	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0015	0.0035	0.0035
Plasmodium vivax	glutathione reductase, putative	0.0076	0.363	1
Plasmodium falciparum	glutathione reductase	0.0076	0.363	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0097	0.4835	0.6963
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.1454
Loa Loa (eye worm)	CYP4Cod1	0.0018	0.0212	0.0212
Echinococcus granulosus	roundabout 2	0.0018	0.0203	0.0294
Echinococcus multilocularis	caspase 2	0.0097	0.4835	0.6978
Brugia malayi	Cytochrome P450 family protein	0.0018	0.0212	0.0178
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0132	0.6928	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2098	0.2098
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.005	0.2098	0.4757
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0042	0.1616	0.5
Trypanosoma cruzi	metacaspase, putative	0.005	0.2098	0.5781
Trypanosoma brucei	metacaspase 5, putative	0.005	0.2098	0.5519
Trypanosoma cruzi	trypanothione reductase, putative	0.0076	0.363	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.1616	0.7703
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Plasmodium falciparum	thioredoxin reductase	0.0076	0.363	1
Onchocerca volvulus		0.0047	0.1897	0.3923
Brugia malayi	hypothetical protein	0.0047	0.1897	0.1868
Trypanosoma brucei	trypanothione reductase	0.0076	0.363	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0709	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.005	0.2098	0.5781
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.1023
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.0212	0.0212
Loa Loa (eye worm)	glutathione reductase	0.0076	0.363	0.363
Schistosoma mansoni	caspase-7 (C14 family)	0.0132	0.6928	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.1616	0.4109
Trypanosoma cruzi	metacaspase, putative	0.005	0.2098	0.5781
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0042	0.1616	0.2333
Echinococcus granulosus	single minded 2	0.0041	0.1552	0.2239
Echinococcus granulosus	apoptotic protease activating factor 1	0.0047	0.1897	0.2737
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0042	0.1616	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0203	0.0203
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0026	0.0709	0.1454
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0026	0.0709	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.3193	0.4609
Schistosoma mansoni	hypothetical protein	0.0047	0.1897	0.2701
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.3193	0.8505
Trypanosoma cruzi	metacaspase, putative	0.005	0.2098	0.5781
Leishmania major	trypanothione reductase	0.0076	0.363	1
Echinococcus granulosus	caspase 2	0.0097	0.4835	0.6978
Loa Loa (eye worm)	hypoxia-induced factor 1	0.017	0.916	0.916
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0042	0.1616	0.2294
Onchocerca volvulus		0.0041	0.1552	0.3209
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0203	0.0203
Plasmodium vivax	metacaspase 1, putative	0.005	0.2098	0.4757
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.1023
Trypanosoma brucei	metacaspase MCA2	0.005	0.2098	0.5519
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.1616	0.2333
Mycobacterium ulcerans	putative regulatory protein	0.0041	0.1552	0.4493
Trypanosoma brucei	metacaspase	0.005	0.2098	0.5519
Trypanosoma brucei	metacaspase MCA3	0.005	0.2098	0.5519
Loa Loa (eye worm)	hypothetical protein	0.0097	0.4835	0.4835
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Plasmodium falciparum	metacaspase-like protein	0.005	0.2098	0.4757
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0042	0.1616	0.1587
Trypanosoma cruzi	metacaspase, putative	0.005	0.2098	0.5781
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.005	0.2098	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0026	0.0709	0.0978
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0026	0.0709	1
Echinococcus multilocularis	transfer RNA-Lys	0.0041	0.1552	0.2239
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.3193	0.4609
Leishmania major	cytochrome p450-like protein	0.0018	0.0212	0.0585
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0026	0.0709	0.1454
Leishmania major	metacaspase, putative	0.005	0.2098	0.5781
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0035	0.005
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.3193	0.4581
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Toxoplasma gondii	thioredoxin reductase	0.0076	0.363	1
Schistosoma mansoni	single-minded	0.0055	0.2391	0.3418
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0019	0.0298	0.0264
Trypanosoma cruzi	metacaspase 5, putative	0.005	0.2098	0.5781
Brugia malayi	GCC2 and GCC3 family protein	0.0022	0.0446	0.0412
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0709	0.1954
Echinococcus multilocularis	roundabout 2	0.0018	0.0203	0.0294
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0132	0.6928	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.1616	0.4453
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0026	0.0709	0.1954
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.3193	0.8797
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.1616	0.4453
Echinococcus granulosus	ubiquitin specific protease 41	0.0042	0.1616	0.2333
Trichomonas vaginalis	mercuric reductase, putative	0.0026	0.0709	0.3379
Brugia malayi	Thioredoxin reductase	0.0076	0.363	0.3607
Trichomonas vaginalis	glutathione reductase, putative	0.0026	0.0709	0.3379
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.3193	0.4581
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0042	0.1616	0.2333
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0709	0.1954
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2098	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5 nM	Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 5 nM	Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 6 nM	Inhibition of selectin E in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 6 nM	Inhibition of selectin E in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 17 nM	Inhibition of VCAM-1 in human endothelial cells	ChEMBL.	11585452
IC50 (binding)	= 17 nM	Inhibition of VCAM-1 in human endothelial cells	ChEMBL.	11585452

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: CHEMBL326120
PubChem: 11045962

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 202438