VISTUSERTIB

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Synonyms
Status
Molecule Category Free-form
UNII 0BSC3P4H5X
EPA CompTox DTXSID20143584

Structure

InChI Key JUSFANSTBFGBAF-IRXDYDNUSA-N
Smiles CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChI
InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N6O3
Molecular Weight 462.55
AlogP 2.5
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 92.71
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase mTOR inhibitor INHIBITOR
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
- 2.8-200 0.14 - -
Enzyme Transferase
- - 33 - -
Unclassified protein
- 200 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.8-200 0.14-33 - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2336325
DrugBank DB11925
FDA SRS 0BSC3P4H5X
Guide to Pharmacology 7699
PubChem 25262792
SureChEMBL SCHEMBL290672
ZINC ZINC000059258964
CONTENTS