Umbralisib

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

Identification

Name
Umbralisib
Accession Number
DB14989
Description

Umbralisib is under investigation in clinical trial NCT02535286 (Study of Immunotherapy in Combination With Ublituximab and Umbralisib in Patients With Relapsed-refractory CLL or Richter's Transformation).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 571.56
Monoisotopic: 571.183124142
Chemical Formula
C31H24F3N5O3
Synonyms
Not Available
External IDs
  • TGR-1202

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

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
38073MQB2A
CAS number
1532533-67-7
InChI Key
IUVCFHHAEHNCFT-INIZCTEOSA-N
InChI
InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1
IUPAC Name
2-[(1S)-1-{4-amino-3-[3-fluoro-4-(propan-2-yloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one
SMILES
CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2

References

General References
Not Available
ChemSpider
34979945
BindingDB
184556
ChEMBL
CHEMBL3948730
ZINC
ZINC000141831516
Wikipedia
Umbralisib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL)1
2Active Not RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL)1
2Active Not RecruitingTreatmentWaldenström's Macroglobulinemia (WM)1
2CompletedTreatmentRecurrent Diffuse Large B-Cell Lymphoma / Refractory Diffuse Large B Cell Lymphoma1
2Enrolling by InvitationTreatmentChronic Lymphocytic Leukaemia (CLL)1
2Enrolling by InvitationTreatmentChronic Lymphocytic Leukaemia (CLL) / Non-Hodgkin's Lymphoma (NHL)1
2Not Yet RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL) / Chronic Lymphocytic Leukemia (CLL) - Refractory / Relapsed Chronic Lymphocytic Leukemia / Small Lymphocytic Lymphoma1
2RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL)3
2RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL) / Chronic Lymphocytic Leukemia or Small Lymphocytic Leukemia (CLL or SLL) / CLL Progression1
2RecruitingTreatmentFollicular Lymphoma (FL) / Follicular Lymphoma Grade 2 / Follicular Lymphoma Grade IIIa / Follicular Lymphoma, Grade 1 / Malignant Lymphomas / Marginal Zone B Cell Lymphoma / Marginal Zone Lymphoma (MZL)1

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 Solubility0.00168 mg/mLALOGPS
logP5.2ALOGPS
logP6.13ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)19.68ChemAxon
pKa (Strongest Basic)4.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area105.15 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity163.22 m3·mol-1ChemAxon
Polarizability56.6 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 08:39 / Updated on June 12, 2020 10:53