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CHEMISTRY
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3 Drugs in Development

3 Drugs in Development

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Chemistry

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Also known as: Inx-315, 2745060-92-6, Inx315, Schembl24052539, Us11643416, compound 3, Bdbm601935

Molecular Formula

C₁₉H₂₁N₇O₃S

Molecular Weight

427.5 g/mol

InChI Key

KGJVKYSVVOQPDL-UHFFFAOYSA-N

FDA UNII

2QD8YT8RWZ

CDK2 Inhibitor INX-315 is an orally bioavailable small molecule inhibitor of cyclin-dependent kinase 2 (CDK2), with potential antineoplastic activity. Upon oral administration, CDK2 inhibitor INX-315 selectively targets, binds to and inhibits the activity of CDK2. This may lead to cell cycle arrest, the induction of apoptosis, and the inhibition of tumor cell proliferation. CDKs are serine/threonine kinases that are important regulators of cell cycle progression and cellular proliferation and are frequently overexpressed in tumor cells.

1 2D Structure

INX-315

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(12-oxospiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide

2.1.2 InChI

InChI=1S/C19H21N7O3S/c20-30(28,29)14-6-4-13(5-7-14)22-18-21-11-12-10-15-24-25-17(27)19(8-2-1-3-9-19)26(15)16(12)23-18/h4-7,10-11,24H,1-3,8-9H2,(H,25,27)(H2,20,28,29)(H,21,22,23)

2.1.3 InChI Key

KGJVKYSVVOQPDL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

2QD8YT8RWZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Inx-315

2. 2745060-92-6

3. Inx315

4. Schembl24052539

5. Us11643416, Compound 3

6. Bdbm601935

7. Ex-a8446

8. Inx-315?

9. Hy-162001

10. Cs-0909828

11. 4-((3'-oxo-2',3'-dihydro-1'h- Spiro[cyclohexane-1,4'- Pyrimido[5',4':4,5]pyrrolo[2,1- C][1,2,4]triazin]-7'- Yl)amino)benzenesulfonamide

2.4 Create Date

2021-12-13

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁N₇O₃S
Molecular Weight	427.5 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	152
Heavy Atom Count	30
Formal Charge	0
Complexity	759
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