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Lanifibranor
Also known as: 927961-18-0, Iva-337, Iva337, 28q8ag0pyl, Chembl4091374, Cpd1537
Molecular Formula
C19H15ClN2O4S2
Molecular Weight
434.9  g/mol
InChI Key
OQDQIFQRNZIEEJ-UHFFFAOYSA-N
FDA UNII
28Q8AG0PYL

Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).
1 2D Structure

Lanifibranor

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
2.1.2 InChI
InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
2.1.3 InChI Key
OQDQIFQRNZIEEJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2
2.2 Other Identifiers
2.2.1 UNII
28Q8AG0PYL
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Iva337

2.3.2 Depositor-Supplied Synonyms

1. 927961-18-0

2. Iva-337

3. Iva337

4. 28q8ag0pyl

5. Chembl4091374

6. Cpd1537

7. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic Acid

8. 1h-indole-2-butanoic Acid, 1-(6-benzothiazolylsulfonyl)-5-chloro-

9. 5-chloro-1-((6-benzothiazolyl)sulfonyl)-1h-indole-2-butanoic Acid

10. 4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid

11. 4-(1-(benzo[d]thiazol-6-ylsulfonyl)-5-chloro-1h-indol-2-yl)butanoic Acid

12. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic Acid

13. Lanifbranor

14. Libfranor

15. Lanifbranor [inn]

16. Lanifibranor(iva-337)

17. Lanifibranor [inn]

18. Unii-28q8ag0pyl

19. Lanifibranor [who-dd]

20. Schembl3528615

21. Amy16813

22. Cmb96118

23. Ex-a1511

24. Bdbm50244350

25. S8770

26. Akos037649312

27. Db14801

28. Sb18746

29. Ac-31451

30. Bs-17993

31. Hy-104049

32. Cs-0027586

33. A903382

34. Q27896056

35. 1-(6-benzothiazolylsulfonyl)-5-chloro-1h-indole-2-butanoic Acid

36. Bjb

37. Iva-337; Iva 337;4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid;iva-337

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 434.9 g/mol
Molecular Formula C19H15ClN2O4S2
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass434.0161770 g/mol
Monoisotopic Mass434.0161770 g/mol
Topological Polar Surface Area126 Ų
Heavy Atom Count28
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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