Structure

InChI Key JROFGZPOBKIAEW-HAQNSBGRSA-N
Smile COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
InChI
InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)/t11-,12-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22N6O3
Molecular Weight 406.45
AlogP 3.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 131.42
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 936890-98-1
ChEMBL CHEMBL3120215
DrugBank DB12387
FDA SRS 25MKH1SZ0M
SureChEMBL SCHEMBL976795