Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 970JJ37FPW

Structure

InChI Key KVLFRAWTRWDEDF-IRXDYDNUSA-N
Smile COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO
InChI
InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31N5O4
Molecular Weight 465.55
AlogP 2.64
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 93.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91329
ChEMBL CHEMBL1801204
DrugBank DB12774
FDA SRS 970JJ37FPW
Guide to Pharmacology 7714
PubChem 25262965
SureChEMBL SCHEMBL298416
ZINC ZINC000052509466