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Also known as: 133825-80-6, Nevanimibe [usan], Pd-132301, Atr-101 free base, 1-(2,6-diisopropylphenyl)-3-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea, Chembl46423

Molecular Formula

C₂₇H₃₉N₃O

Molecular Weight

421.6 g/mol

InChI Key

PKKNCEXEVUFFFI-UHFFFAOYSA-N

FDA UNII

VK9OS8R205

Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).

1 2D Structure

Nevanimibe

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea

2.1.2 InChI

InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)

2.1.3 InChI Key

PKKNCEXEVUFFFI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C

2.2 Other Identifiers

2.2.1 UNII

VK9OS8R205

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Damp-cmumep

2. N-(2,6-bis(isopropyl)phenyl)-n'-((1-(4-(dimethylaminomethyl)phenyl)cyclopentyl)methyl)urea

2.3.2 Depositor-Supplied Synonyms

1. 133825-80-6

2. Nevanimibe [usan]

3. Pd-132301

4. Atr-101 Free Base

5. 1-(2,6-diisopropylphenyl)-3-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea

6. Chembl46423

7. Pd 132301

8. Vk9os8r205

9. Nevanimibe (usan)

10. 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea

11. Damp-cmumep

12. Chembl542103

13. N-(2,6-bis(isopropyl)phenyl)-n/'-((1-(4-(dimethylaminomethyl)phenyl)cyclopentyl)methyl)urea

14. Rov

15. Nevanimibe [inn]

16. Unii-vk9os8r205

17. Schembl1119314

18. Dtxsid10928286

19. Bdbm50041735

20. Akos037648690

21. Sb17169

22. Bs-15209

23. Hy-100399

24. Cs-0018785

25. D11300

26. D81212

27. Q27291867

28. N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-n'-[2,6-di(propan-2-yl)phenyl]urea

29. N-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea

30. 1-(2,6-diisopropyl-phenyl)-3-[1-(4-dimethylamino-phenyl)-cyclopentylmethyl]-urea; Hydrochloride

31. N'-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-n-[2,6-di(propan-2-yl)phenyl]carbamimidic Acid

32. N-(2,6-bis(propan-2-yl)phenyl)-n'-((1-(4-(dimethylamino)phenyl) Cyclopentyl)methyl)urea

33. Urea, N-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)-

34. Urea, N-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(4-dimethylamino)phenyl)cyclopentyl)methyl)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₉N₃O
Molecular Weight	421.6 g/mol
XLogP3	6.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	421.309312876 g/mol
Monoisotopic Mass	421.309312876 g/mol
Topological Polar Surface Area	44.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	543
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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