OSI-027

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Synonyms
Status
Molecule Category Free-form
UNII 25MKH1SZ0M

Structure

InChI Key JROFGZPOBKIAEW-HAQNSBGRSA-N
Smiles 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

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

Target Conservation

Protein: Serine/threonine-protein kinase mTOR
Description: Serine/threonine-protein kinase mTOR
Organism : Homo sapiens
P42345 ENSG00000198793

Cross References

Resources Reference
ChEMBL CHEMBL3120215
DrugBank DB12387
FDA SRS 25MKH1SZ0M
SureChEMBL SCHEMBL976795
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