U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H20F3N9
Molecular Weight 527.5032
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PANULISIB

SMILES

CN1C2=C(N(\C1=N\C#N)C3=CN=C(C=C3)C(C)(C)C#N)C4=CC(=CC=C4N=C2)C5=CN=C(N)C(=C5)C(F)(F)F

InChI

InChIKey=VJLRLTSXTLICIR-AUGOTPMTSA-N
InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)/b37-25+

HIDE SMILES / InChI

Molecular Formula C27H20F3N9
Molecular Weight 527.5032
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

Panulisib (P7170) was developed as a small molecule inhibitor of phosphatidylinositol 3-kinase (PI3K) and mTOR with potential anticancer activity. It is known that mTOR pathway is often upregulated in cancer and thus intensively pursued as a target to design novel anticancer therapies. P7170 were being tested in phase I clinical studies in patients with advanced refractory solid tumors. The primary objective was to determine the maximum tolerated dose and dose-limiting toxicity of the drug. However, this study is suspended because of the sponsor’s decision.

Approval Year

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Patients will receive orally study drug on a daily basis for twenty-one days according to the dose and schedule specified for a particular cohort of therapy. This 21 day administration will define a treatment cycle
Route of Administration: Oral
Substance Class Chemical
Record UNII
S9WA04F921
Record Status Validated (UNII)
Record Version