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Details

Stereochemistry ACHIRAL
Molecular Formula C26H32BrF3N8O
Molecular Weight 609.484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XL-418

SMILES

CC1=C(C=C(C=C1NCCN2CCCC2)C(=O)CCC(F)(F)F)N3CCN(CC3)C4=NC=NC5=C4C(Br)=NN5

InChI

InChIKey=IKBSEBRGSVFUHM-UHFFFAOYSA-N
InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35)

HIDE SMILES / InChI

Description

XL418 is a dual protein kinase B (Akt) and ribosomal protein S6 Kinase (p70 S6K) inhibitor that also acts as an ATP-pocket binder with potential antineoplastic activity. XL418 was involved in phase I clinical trial in patients with solid tumors, however, in Dec 2007, this study was discontinued, due to low drug exposure.

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Oral