Acalisib

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates
Name
Acalisib
Accession Number
DB15407
Type
Small Molecule
Groups
Investigational
Description

Acalisib is under investigation in clinical trial NCT01705847 (A Phase 1b Study Evaluating GS-9820 in Subjects With Lymphoid Malignancies).

Structure
Thumb
Synonyms
Not Available
External IDs
CAL-120
Categories
Not Available
UNII
OVW60IDW1D
CAS number
870281-34-8
Weight
Average: 401.405
Monoisotopic: 401.140036326
Chemical Formula
C21H16FN7O
InChI Key
DOCINCLJNAXZQF-LBPRGKRZSA-N
InChI
InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
IUPAC Name
6-fluoro-3-phenyl-2-[(1S)-1-[(7H-purin-6-yl)amino]ethyl]-3,4-dihydroquinazolin-4-one
SMILES
C[C@H](NC1=NC=NC2=C1NC=N2)C1=NC2=C(C=C(F)C=C2)C(=O)N1C1=CC=CC=C1

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
ChemSpider
9793017
BindingDB
217352

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLymphoid Malignancies1

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 Solubility0.0326 mg/mLALOGPS
logP2.81ALOGPS
logP2.8ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)10.19ChemAxon
pKa (Strongest Basic)2.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.16 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity113.93 m3·mol-1ChemAxon
Polarizability39.49 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:26 / Updated on February 02, 2020 03:23