Sapanisertib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Sapanisertib
Accession Number
DB11836
Description

Sapanisertib has been used in trials studying the treatment of HCC, Solid Tumor, Gliosarcoma, Liver Cancer, and Glioblastoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 309.333
Monoisotopic: 309.133808131
Chemical Formula
C15H15N7O
Synonyms
Not Available
External IDs
  • MLN0128

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sapanisertib Diphosphate6AXE5IZ00D1422006-45-8QSGFPHZWXWVYBU-UHFFFAOYSA-N
Sapanisertib Hydrochloride9T2Z08R92D1422006-46-9BIIIFXZHOONGOL-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzoxazoles
Sub Class
Not Available
Direct Parent
Benzoxazoles
Alternative Parents
Pyrazolo[3,4-d]pyrimidines / Aminopyrimidines and derivatives / Imidolactams / Benzenoids / Pyrazoles / Oxazoles / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Primary amines
show 3 more
Substituents
Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzoxazole / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
JGH0DF1U03
CAS number
1224844-38-5
InChI Key
GYLDXIAOMVERTK-UHFFFAOYSA-N
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)
IUPAC Name
5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
SMILES
CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1

References

General References
Not Available
PubChem Compound
45375953
PubChem Substance
347828181
ChemSpider
28189069
BindingDB
315477
ChEBI
91450
ChEMBL
CHEMBL3545097
ZINC
ZINC000073069271
PDBe Ligand
FE5
Wikipedia
Sapanisertib
PDB Entries
6gvf

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentB Acute Lymphoblastic Leukemia / B Acute Lymphoblastic Leukemia With t(9;22)(q34.1;q11.2); BCR-ABL1 / B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative / Recurrent Adult Acute Lymphoblastic Leukemia / Refractory Adult Acute Lymphoblastic Leukemia / T Acute Lymphoblastic Leukemia1
2Active Not RecruitingTreatmentLocally Advanced Bladder Urothelial Carcinoma / Metastatic Transitional Cell Carcinoma / Recurrent Bladder Carcinoma / Stage III Bladder Urothelial Carcinoma AJCC v6 and v7 / Stage IV Bladder Urothelial Carcinoma AJCC v7 / Urothelial carcinoma ureter metastatic1
2Active Not RecruitingTreatmentNeoplasms, Endometrial1
2Active Not RecruitingTreatmentPancreatic Neuroendocrine Tumor G1 / Pancreatic Neuroendocrine Tumor G2 / Refractory Pancreatic Neuroendocrine Carcinoma1
2Active Not RecruitingTreatmentRecurrent Lung Squamous Cell Carcinoma / Stage IV Lung Squamous Cell Carcinoma AJCC v71
2Active Not RecruitingTreatmentSoft Tissue Sarcoma (STS) / Soft-Tissue Sarcoma1
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentClear-cell Metastatic Renal Cell Carcinoma1
2CompletedTreatmentEstrogen Receptor Positive Breast Cancer1
2CompletedTreatmentMetastatic Castration Resistant Prostate Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.23 mg/mLALOGPS
logP1.97ALOGPS
logP1.64ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)4.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area121.67 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity97.69 m3·mol-1ChemAxon
Polarizability32.67 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 14:52 / Updated on June 12, 2020 10:53

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