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1 Drugs in Development

1 Drugs in Development

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Chemistry

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Also known as: 2565656-70-2, Muvalaplin [usan], Ly3473329, Hsu2ky4efk, Unii-hsu2ky4efk, Ly-3473329

Molecular Formula

C₄₂H₅₄N₄O₆

Molecular Weight

710.9 g/mol

InChI Key

BRLGERLDHZRETI-BGBFCPIGSA-N

FDA UNII

HSU2KY4EFK

MUVALAPLIN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.

1 2D Structure

Muvalaplin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid

2.1.2 InChI

InChI=1S/C42H54N4O6/c47-40(48)37(34-10-13-43-22-34)19-28-4-1-7-31(16-28)25-46(26-32-8-2-5-29(17-32)20-38(41(49)50)35-11-14-44-23-35)27-33-9-3-6-30(18-33)21-39(42(51)52)36-12-15-45-24-36/h1-9,16-18,34-39,43-45H,10-15,19-27H2,(H,47,48)(H,49,50)(H,51,52)/t34-,35-,36-,37-,38-,39-/m0/s1

2.1.3 InChI Key

BRLGERLDHZRETI-BGBFCPIGSA-N

2.2 Other Identifiers

2.2.1 UNII

HSU2KY4EFK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2565656-70-2

2. Muvalaplin [usan]

3. Ly3473329

4. Hsu2ky4efk

5. Unii-hsu2ky4efk

6. Ly-3473329

7. Muvalaplin (usan)

8. Who 12607

9. (2s,2's,2''s)-3,3',3''-((nitrilotris(methylene))tris(benzene-3,1-diyl))tris(2-((r)-pyrrolidin-3-yl)propanoic Acid)

10. (2s)-3-[3-[[bis[[3-[(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3r)-pyrrolidin-3-yl]propanoic Acid

11. 3-pyrrolidineacetic Acid, Alpha,alpha',alpha''- (nitrilotris(methylene-3,1-phenylenemethylene))tris-,(alphas,alpha's,alpha''s,3r,3'r,3''r)-

12. Muvalaplin [inn]

13. Chembl4802585

14. Schembl22750411

15. Gtpl12939

16. Glxc-27761

17. Ex-a9182

18. At43355

19. Da-65716

20. Hy-152857

21. Cs-0641200

22. D12460

23. (13r,2s,10s,113r)-6-[(3-{(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl}phenyl)methyl]-6-aza-1,11(3)-dipyrrolidina-4,8(1,3)-dibenzenaundecaphane-2,10-dicarboxylic Acid

24. (2s)-3-[3-[[bis[[3-[(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]phenyl]-2-[(3r)-pyrrolidin-3-yl]propanoic Acid

25. 3-pyrrolidineacetic Acid, Alpha,alpha',alpha''- [nitrilotris(methylene-3,1-phenylenemethylene)]tris-, (alphas,alpha's,alpha''s,3r,3'r,3''r)-

2.4 Create Date

2021-01-23

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₅₄N₄O₆
Molecular Weight	710.9 g/mol
XLogP3	-2.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	18
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	151
Heavy Atom Count	52
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1