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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22FN3O4S
Molecular Weight 455.502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XL-388

SMILES

CC1=C(C=CC(=C1F)S(C)(=O)=O)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC=C(N)N=C4

InChI

InChIKey=LNFBAYSBVQBKFR-UHFFFAOYSA-N
InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)

HIDE SMILES / InChI

Molecular Formula C23H22FN3O4S
Molecular Weight 455.502
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

XL388 is a selective small-molecule ATP-competitive inhibitor of mTOR kinase complexes mTORC1 and mTORC2. XL388 inhibited cellular phosphorylation of mTOR complex 1 (p-p70S6K, pS6, and p-4E-BP1) and mTOR complex 2 (pAKT (S473)) substrates. In vitro, XL388 inhibits the viability of solid and hematopoietic tumor cell lines when assayed as a single agent. XL388 also synergizes with chemotherapeutics in cell‐based assays to block cell viability. When dosed orally once daily in mice, XL388 shows robust anti‐tumor activity in multiple xenograft models. Exelixis has discontinued the development of XL388. The company intends to pursue a collaboration partner or other external opportunities for the development of XL388.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.0 nM [IC50]
166.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
oral administration of XL388 (20 mg/kg body weight, every three days, × 7 times) significantly inhibited U2OS xenograft growth in severe combined immuno-deficient mice.
Route of Administration: Oral
In Vitro Use Guide
XL388 (100 nM) inhibited survival in human osteosarcoma cells
Substance Class Chemical
Record UNII
B7I5G3Z7XR
Record Status Validated (UNII)
Record Version