SAPANISERTIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII JGH0DF1U03

Structure

InChI Key GYLDXIAOMVERTK-UHFFFAOYSA-N
Smiles CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChI
InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N7O
Molecular Weight 309.33
AlogP 2.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 121.67
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase mTOR inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 0.64-5 0.092 1-1.4 -
Enzyme Transferase
- - 3.7-81 28 -
Other cytosolic protein
- 5 - - -
Unclassified protein
- 1-5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.64-280 0.092-81 1-28 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 91450
ChEMBL CHEMBL3545097
DrugBank DB11836
FDA SRS JGH0DF1U03
Guide to Pharmacology 7933
PDB FE5
PubChem 45375953
SureChEMBL SCHEMBL7902875
ZINC ZINC000073069271
CONTENTS