VISTUSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0BSC3P4H5X

Structure
InChI Key JUSFANSTBFGBAF-IRXDYDNUSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor
Primary Target
mechanistic target of rapamycin kinase
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
- 3-3 0 - -
Enzyme Transferase
- 3800 1500 - -
Enzyme
- 3-3 0 - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 47500 - - -
Unclassified protein
- 200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adenocarcinoma 2 D000230 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Meningioma 2 D008579 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials
Hereditary Breast and Ovarian Cancer Syndrome 1 D061325 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1009298-59-2
ChEMBL CHEMBL2336325
DrugBank DB11925
EPA CompTox DTXSID20143584
FDA SRS 0BSC3P4H5X
Guide to Pharmacology 7699
PubChem 25262792
SureChEMBL SCHEMBL290672
ZINC ZINC000059258964
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