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2D Structure
Also known as: 1103500-20-4, Ly2562175, Ly-2562175, Vva2zdv3lx, Tern-101, Chembl3746388
Molecular Formula
C28H27Cl2N3O4
Molecular Weight
540.4  g/mol
InChI Key
RPVDFHPBGBMWID-UHFFFAOYSA-N
FDA UNII
VVA2ZDV3LX

TERN-101 is under investigation in clinical trial NCT04328077 (LIFT Study: A Safety, Tolerability, Efficacy, and Pharmacokinetics Study of TERN-101 in Subjects With Non-cirrhotic Non-alcoholic Steatohepatitis (NASH)).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid
2.1.2 InChI
InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
2.1.3 InChI Key
RPVDFHPBGBMWID-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
VVA2ZDV3LX
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1103500-20-4

2. Ly2562175

3. Ly-2562175

4. Vva2zdv3lx

5. Tern-101

6. Chembl3746388

7. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

8. 1h-indole-3-carboxylic Acid, 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)-1-piperidinyl)-1-methyl-

9. Unii-vva2zdv3lx

10. Schembl1097262

11. Ex-a2794

12. Bdbm50500349

13. Sb19684

14. Ac-36270

15. Hy-103704

16. Cs-0033341

17. J3.552.460f

18. 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic Acid

19. 6-{4-[5-cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1h-indole-3-carboxylic Acid

2.4 Create Date
2009-04-06
3 Chemical and Physical Properties
Molecular Weight 540.4 g/mol
Molecular Formula C28H27Cl2N3O4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass539.1378617 g/mol
Monoisotopic Mass539.1378617 g/mol
Topological Polar Surface Area80.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1