Details of the Drug

General Information of Drug (ID: DMZQVDI)

Drug Name

T0901317

Synonyms

T0901317; 293754-55-9; T 0901317; TO-901317; TO901317; UNII-A07663A39I; T-0901317; CHEMBL62136; N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide; A07663A39I; N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE; N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide; T-1317

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

481.3

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C17H12F9NO3S
IUPAC Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChI: InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
InChIKey: SGIWFELWJPNFDH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 447912
CAS Number: 293754-55-9
DrugBank ID: DB07080
TTD ID: D0B5FC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxysterols receptor LXR (NR1H)	TTM1EQF	NOUNIPROTAC	Binder	[2]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
1-acylglycerol-3-phosphate O-acyltransferase PNPLA3 (PNPLA3)	OTR4990X	PLPL3_HUMAN	Gene/Protein Processing	[3]
Acetyl-CoA carboxylase 1 (ACACA)	OT5CQPZY	ACACA_HUMAN	Gene/Protein Processing	[4]
Alpha-synuclein (SNCA)	OTPWC1MR	SYUA_HUMAN	Gene/Protein Processing	[5]
Apolipoprotein A-I (APOA1)	OT5THARI	APOA1_HUMAN	Gene/Protein Processing	[6]
Apolipoprotein B-100 (APOB)	OTH0UOCZ	APOB_HUMAN	Gene/Protein Processing	[4]
Apolipoprotein E (APOE)	OTFOWL2H	APOE_HUMAN	Gene/Protein Processing	[7]
ATP-binding cassette sub-family G member 1 (ABCG1)	OT5BG6MK	ABCG1_HUMAN	Gene/Protein Processing	[8]
ATP-citrate synthase (ACLY)	OTRL9ZRP	ACLY_HUMAN	Gene/Protein Processing	[9]
Cholesteryl ester transfer protein (CETP)	OTAGPPOE	CETP_HUMAN	Gene/Protein Processing	[10]
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[11]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2755).
2	The LXR ligand T0901317 induces severe lipogenesis in the db/db diabetic mouse. J Lipid Res. 2003 Nov;44(11):2039-48.
3	Isosilybin regulates lipogenesis and fatty acid oxidation via the AMPK/SREBP-1c/PPAR pathway. Chem Biol Interact. 2022 Dec 1;368:110250. doi: 10.1016/j.cbi.2022.110250. Epub 2022 Nov 5.
4	Editor's Highlight: Mechanistic Toxicity Tests Based on an Adverse Outcome Pathway Network for Hepatic Steatosis. Toxicol Sci. 2017 Sep 1;159(1):159-169. doi: 10.1093/toxsci/kfx121.
5	Regulation of alpha-synuclein expression by liver X receptor ligands in vitro. Neuroreport. 2008 Nov 19;19(17):1685-9. doi: 10.1097/WNR.0b013e32831578b2.
6	Role of the nuclear receptors HNF4 alpha, PPAR alpha, and LXRs in the TNF alpha-mediated inhibition of human apolipoprotein A-I gene expression in HepG2 cells. Biochemistry. 2009 Dec 22;48(50):11950-60. doi: 10.1021/bi9015742.
7	Inhibition of progesterone production in human luteinized granulosa cells treated with LXR agonists. Mol Hum Reprod. 2007 Jun;13(6):373-9.
8	The human ABCG1 gene: identification of LXR response elements that modulate expression in macrophages and liver. J Lipid Res. 2005 Oct;46(10):2151-67. doi: 10.1194/jlr.M500080-JLR200. Epub 2005 Jul 16.
9	Effects of antiepileptic drugs on lipogenic gene regulation and hyperlipidemia risk in Taiwan: a nationwide population-based cohort study and supporting in vitro studies. Arch Toxicol. 2018 Sep;92(9):2829-2844. doi: 10.1007/s00204-018-2263-3. Epub 2018 Jul 13.
10	Liver X receptor and retinoic X receptor agonists modulate the expression of genes involved in lipid metabolism in human endothelial cells. Int J Mol Med. 2005 Oct;16(4):717-22.
11	Human cytochrome P450 1A1 is a novel target gene of liver X receptor alpha. Drug Metab Pharmacokinet. 2011;26(5):451-7.