TDR Targets

Basic information

Technical information

TDR Targets ID: 458358
Name: tert-butyl 2-[2-(thiophen-2-ylsulfonylamino)- 2,3-dihydro-1H-inden-5-yl]indole-1-carboxylat e
MW: 494.626 | Formula: C26H26N2O4S2
H donors: 1 H acceptors: 3 LogP: 5.97 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(n1c(cc2c1cccc2)c1ccc2c(c1)CC(C2)NS(=O)(=O)c1cccs1)OC(C)(C)C
InChi: 1S/C26H26N2O4S2/c1-26(2,3)32-25(29)28-22-8-5-4-7-18(22)16-23(28)19-11-10-17-14-21(15-20(17)13-19)27-34(30,31)24-9-6-12-33-24/h4-13,16,21,27H,14-15H2,1-3H3
InChiKey: AGKUZMNQBHXLGU-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

tert-butyl 2-[2-(2-thienylsulfonylamino)indan-5-yl]indole-1-carboxylate
2-[2-(2-thienylsulfonylamino)-5-indanyl]-1-indolecarboxylic acid tert-butyl ester
2-[2-(2-thienylsulfonylamino)indan-5-yl]indole-1-carboxylic acid tert-butyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear receptor subfamily 1, group H, member 2	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 1, group H, member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	nuclear receptor subfamily 1, group H, member 3	387 aa	321 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0735	0.0735
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0008	0.0058	0.0073
Echinococcus multilocularis	neuroglian	0.0011	0.0205	0.0261
Schistosoma mansoni	tyrosine kinase	0.0066	0.2952	1
Schistosoma mansoni	tyrosine kinase	0.0012	0.0235	0.0797
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0735	0.0934
Schistosoma mansoni	tyrosine kinase	0.0012	0.0235	0.0797
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0237	0.0302
Echinococcus multilocularis	roundabout 2	0.0014	0.0352	0.0448
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0735	0.0934
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0735	0.2489
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0009	0.009	0.0307
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0735	0.0735
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0447	0.1513
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0735	0.0934
Brugia malayi	hypothetical protein	0.0016	0.0447	0.0447
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0735	0.0735
Echinococcus multilocularis	tyrosine protein kinase shark	0.0008	0.0058	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0009	0.009	0.0307
Echinococcus granulosus	tyrosine protein kinase Blk	0.0008	0.0058	0.0073
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.015	0.7152	0.7152
Schistosoma mansoni	tyrosine kinase	0.0012	0.0235	0.0797
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0447	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0735	0.2489
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0735	0.0735
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0077	0.026
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0735	0.0934
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0735	0.0735
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0008	0.0058	0.0073
Echinococcus granulosus	defective proboscis extension response	0.0009	0.009	0.0115
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0735	0.0735
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0735	0.0735
Onchocerca volvulus		0.0022	0.0735	0.0681
Brugia malayi	Fibronectin type III domain containing protein	0.0009	0.009	0.009
Brugia malayi	Protein kinase domain containing protein	0.0164	0.7866	0.7866
Brugia malayi	hypothetical protein	0.0009	0.009	0.009
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0008	0.0058	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	transfer RNA-Thr	0.0164	0.7866	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0008	0.0058	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0735	0.0735
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0735	0.0934
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0735	0.0934
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0012	0.0235	0.0299
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0735	0.0735
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0058	0.0058
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0735	0.2489
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0058	0.0058
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0735	0.0681
Loa Loa (eye worm)	SRC-1	0.0012	0.0235	0.0235
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0735	0.2489
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0735	0.0934
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Echinococcus granulosus	c src tyrosine kinase	0.0012	0.0235	0.0299
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0735	0.0735
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0447	0.0568
Echinococcus granulosus	activated cdc42 kinase 1	0.0164	0.7866	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0735	0.2489
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0735	0.0735
Echinococcus granulosus	roundabout 2	0.0014	0.0352	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2717	0.2717
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0447	0.0447
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0735	0.0934
Schistosoma mansoni	serine/threonine protein kinase	0.0008	0.0053	0.018
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0735	0.0934
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0077	0.0098
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0735	0.2489
Schistosoma mansoni	tyrosine kinase	0.001	0.0134	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2952	0.2952
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0012	0.0235	0.0299
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0735	0.0934
Brugia malayi	hypothetical protein	0.0016	0.0447	0.0447
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0012	0.0235	0.0299
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0012	0.0235	0.0299
Schistosoma mansoni	tyrosine kinase	0.0012	0.0235	0.0797
Echinococcus multilocularis	tyrosine kinase	0.0008	0.0058	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0735	0.0735
Echinococcus granulosus	tyrosine kinase	0.0008	0.0058	0.0073
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0447	0.0447
Echinococcus granulosus	activated cdc42 kinase 1	0.0164	0.7866	1
Echinococcus granulosus	twitchin	0.0011	0.0205	0.0261
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0735	0.2489
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.009	0.009
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0008	0.0058	0.0073
Schistosoma mansoni	vesicular amine transporter	0.0009	0.009	0.0307
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0012	0.0235	0.0797
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0735	0.0735
Brugia malayi	SH2 domain containing protein	0.0008	0.0058	0.0058
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0735	0.0934
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0735	0.0735
Brugia malayi	protein-tyrosine kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0735	0.0934
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0447	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	activated cdc42 kinase 1	0.0164	0.7866	1
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0058	0.0058
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0012	0.0235	0.0299
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0008	0.0058	0.0073
Onchocerca volvulus		0.0134	0.632	0.6298
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0735	0.0934
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0735	0.0735
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0012	0.0235	0.0299
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0735	0.0735
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0012	0.0235	0.0299
Brugia malayi	nuclear receptor RXR	0.0016	0.0447	0.0447
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0735	0.0681
Echinococcus multilocularis	c src tyrosine kinase	0.0012	0.0235	0.0299
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0735	0.2489
Loa Loa (eye worm)	TK protein kinase	0.0008	0.0058	0.0058
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0012	0.0235	0.0299
Echinococcus granulosus	Immunoglobulin	0.0009	0.009	0.0115
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0735	0.0934
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0735	0.0735
Brugia malayi	Immunoglobulin I-set domain containing protein	0.015	0.7152	0.7152
Echinococcus multilocularis	protein KINase family member (kin 25)	0.0066	0.2952	0.3753
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0735	0.0735
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0008	0.0058	0.0073
Echinococcus multilocularis	Immunoglobulin	0.0009	0.009	0.0115
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0237	0.0804
Brugia malayi	nuclear hormone receptor	0.0022	0.0735	0.0735
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0735	0.0735
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0008	0.0058	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2717	0.2717
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0009	0.009	0.0115
Schistosoma mansoni	tyrosine kinase	0.0008	0.0058	0.0195
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0012	0.0235	0.0299
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0237	0.0237
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0735	0.2489
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0352	0.0352
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0447	0.0447
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0735	0.0934
Schistosoma mansoni	tyrosine kinase	0.001	0.0137	0.0465
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0735	0.0934
Brugia malayi	SH2 domain containing protein	0.0008	0.0058	0.0058
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0735	0.2489
Brugia malayi	Tyrosine-protein kinase abl-1	0.0012	0.0235	0.0235
Echinococcus granulosus	neuroglian	0.0011	0.0205	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0447	0.0447
Brugia malayi	hypothetical protein	0.0008	0.0058	0.0058
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0077	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0735	0.2489
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0058	0.0058
Echinococcus granulosus	tyrosine kinase	0.0008	0.0058	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0735	0.0735
Echinococcus multilocularis	Immunoglobulin	0.0009	0.009	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0058	0.0058
Loa Loa (eye worm)	TK/ABL protein kinase	0.0008	0.0058	0.0058
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0012	0.0235	0.0299
Echinococcus granulosus	tyrosine protein kinase shark	0.0008	0.0058	0.0073
Onchocerca volvulus	Tyrosine kinase homolog	0.0141	0.667	0.6651
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0735	0.2489
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0735	0.0934
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0447	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.016	0.7631	0.7631
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0066	0.2952	0.3753
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0012	0.0235	0.0299
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Brugia malayi	steroid hormone receptor	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0009	0.009	0.009
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0735	0.0934
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0012	0.0235	0.0299
Echinococcus granulosus	tyrosine protein kinase Srms	0.0008	0.0058	0.0073
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0735	0.0735
Schistosoma mansoni	nephrin	0.0011	0.0205	0.0696
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0012	0.0235	0.0299
Schistosoma mansoni	coup transcription factor	0.0022	0.0735	0.2489
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0447	0.0447
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Onchocerca volvulus	Bile acid receptor homolog	0.0207	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0008	0.0058	0.0073
Brugia malayi	SRC-1	0.0012	0.0235	0.0235
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0012	0.0235	0.0299
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0012	0.0235	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0164	0.7866	0.7866
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0447	0.0447
Loa Loa (eye worm)	TK/FER protein kinase	0.0008	0.0058	0.0058

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.11 uM	Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay	ChEMBL.	17416521
EC50 (functional)	= 0.11 uM	Agonist activity at LXRbeta LBD by HTRF cofactor peptide recruitment assay	ChEMBL.	17416521
EC50 (functional)	= 0.363 uM	Activation of LXRbeta co-transfected in COS7 cells with RXRalpha by reporter transactivation assay	ChEMBL.	17416521
EC50 (functional)	= 0.363 uM	Activation of LXRbeta co-transfected in COS7 cells with RXRalpha by reporter transactivation assay	ChEMBL.	17416521
EC50 (functional)	= 0.54 uM	Agonist activity at LXRalpha LBD by HTRF cofactor peptide recruitment assay	ChEMBL.	17416521
EC50 (functional)	= 0.54 uM	Agonist activity at LXRalpha LBD by HTRF cofactor peptide recruitment assay	ChEMBL.	17416521
EC50 (functional)	= 0.57 uM	Induction of cholesterol efflux in THP1 cells after 18 hrs	ChEMBL.	17416521
EC50 (functional)	= 0.57 uM	Induction of cholesterol efflux in THP1 cells after 18 hrs	ChEMBL.	17416521
Ratio (functional)	= 1.5	Ratio of induction of cholesterol efflux in THP1 cells at 10 uM to control after 18 hrs	ChEMBL.	17416521
Ratio (functional)	= 1.7	Ratio of induction of lipogenesis in HepG2 cells at 10 uM to control after 24 hrs	ChEMBL.	17416521
Ratio (functional)	= 2.9	Ratio of induction of SREBP1c gene expression in THP1 cells at 10 uM to control	ChEMBL.	17416521
Ratio (functional)	= 7.3	Ratio of induction of ABCA1 gene expression in THP1 cells at 10 uM to control	ChEMBL.	17416521

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17416521

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: CHEMBL251538
PubChem: 25190863

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 458358