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4 Drugs in Development

4 Drugs in Development

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Chemistry

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Also known as: 1421936-85-7, Iclepertin [inn], Bi-425809, M43zdu10dd, Unii-m43zdu10dd, Bi425809

Molecular Formula

C₂₀H₁₈F₆N₂O₅S

Molecular Weight

512.4 g/mol

InChI Key

MYHDQTVHHMSLEF-DDBGAENHSA-N

FDA UNII

M43ZDU10DD

ICLEPERTIN is a small molecule drug with a maximum clinical trial phase of III (across all indications) and has 3 investigational indications.

1 2D Structure

Iclepertin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

2.1.2 InChI

InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1

2.1.3 InChI Key

MYHDQTVHHMSLEF-DDBGAENHSA-N

2.2 Other Identifiers

2.2.1 UNII

M43ZDU10DD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bi 425809

2.3.2 Depositor-Supplied Synonyms

1. 1421936-85-7

2. Iclepertin [inn]

3. Bi-425809

4. M43zdu10dd

5. Unii-m43zdu10dd

6. Bi425809

7. Bi 425809

8. [5-methylsulfonyl-2-[(2r)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1r,5r)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

9. Methanone, (5-(methylsulfonyl)-2-((1r)-2,2,2-trifluoro-1-methylethoxy)phenyl)((1r,5r)-1-(5-(trifluoromethyl)-3-isoxazolyl)-3-azabicyclo(3.1.0)hex-3-yl)-

10. [5-?(methylsulfonyl)?-?2-?[(1r)?-?2,?2,?2-?trifluoro-?1-?methylethoxy]?phenyl]?[(1r,?5r)?-?1-?[5-?(trifluoromethyl)?-?3-?isoxazolyl]?-?3-?azabicyclo[3.1.0]?hex-?3-?yl]?-methanone

11. Methanone, [5-(methylsulfonyl)-2-[(1r)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1r,5r)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]-

12. Iclepertin [usan]

13. Iclepertin (jan/usan/inn)

14. Chembl5314576

15. Schembl22621289

16. Gtpl12110

17. Myhdqtvhhmslef-ddbgaenhsa-n

18. Glxc-25863

19. Ex-a9180

20. Akos040755624

21. Ms-29509

22. Hy-138935

23. Cs-0173438

24. D12527

25. G18229

26. En300-33036645

27. Z5066614506

28. (1r,5r)-3-(5-methanesulfonyl-2-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane

29. (5-(methylsulfonyl)-2-((r)-1,1,1-trifluoropropan-2-yloxy)phenyl)((1r,5r)-1-(5-(trifluoromethyl)isoxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone

30. [5-(methylsulfonyl)-2-[(1r)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1r,5r)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]-methanone

31. [5-(methylsulfonyl)-2-[(1r)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1r,5r)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]methanone

2.4 Create Date

2020-12-19

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈F₆N₂O₅S
Molecular Weight	512.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	98.1
Heavy Atom Count	34
Formal Charge	0
Complexity	907
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of schizophrenia

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Nootropic Agents

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)

Drugs in Development