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2 Drugs in Development

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Chemistry

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Also known as: Enzomenib [inn], Vw83y2jlz5, Chembl5314915, Schembl21782940, Us10815241, example 6, Bdbm470581

Molecular Formula

C₃₃H₄₃FN₆O₃

Molecular Weight

590.7 g/mol

InChI Key

JQHJEDMMWUIYCE-FVVBACEJSA-N

FDA UNII

VW83Y2JLZ5

DSP-5336 is a menin inhibitor.

1 2D Structure

Enzomenib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-fluoro-2-[4-[7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide

2.1.2 InChI

InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1

2.1.3 InChI Key

JQHJEDMMWUIYCE-FVVBACEJSA-N

2.1.4 Canonical SMILES

CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)C5C6CCC(N5)CC6=C

2.1.5 Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@@H]5[C@@H]6CC[C@H](N5)CC6=C

2.2 Other Identifiers

2.2.1 UNII

VW83Y2JLZ5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Enzomenib [inn]

2. Vw83y2jlz5

3. Chembl5314915

4. Schembl21782940

5. Us10815241, Example 6

6. Bdbm470581

7. Dsp-5336

8. 2412555-70-3

9. 5-fluoro-2-[(4-{7-[(1s,3s,4r)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-n,n-di(propan-2-yl)benzamide

10. 5-fluoro-2-[[4-[7-[[(1s,3s,4r)-5-methylene-2-azabicyclo[2.2.2]oct-3-yl]carbonyl]-2,7-diazaspiro[3.5]non-2-yl]-5-pyrimidinyl]oxy]-n,n-bis(1-methylethyl)benzamide

11. Benzamide, 5-fluoro-2-((4-(7-(((1s,3s,4r)-5-methylene-2-azabicyclo(2.2.2)oct-3-yl)carbonyl)-2,7-diazaspiro(3.5)non-2-yl)-5-pyrimidinyl)oxy)-n,n-bis(1-methylethyl)-

2.4 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₄₃FN₆O₃
Molecular Weight	590.7 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	90.9
Heavy Atom Count	43
Formal Charge	0
Complexity	1030
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