duvelisib

Ligand id: 7795

Name: duvelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 87.97
Molecular weight 416.12
XLogP 5.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Ali AY, Wu X, Eissa N, Hou S, Ghia JE, Murooka TT, Banerji V, Johnston JB, Lin F, Gibson SB et al.. (2018)
Distinct roles for phosphoinositide 3-kinases γ and δ in malignant B cell migration.
Leukemia, 32 (9): 1958-1969. [PMID:29479062]
2. Balakrishnan K, Peluso M, Fu M, Rosin NY, Burger JA, Wierda WG, Keating MJ, Faia K, O'Brien S, Kutok JL et al.. (2015)
The phosphoinositide-3-kinase (PI3K)-delta and gamma inhibitor, IPI-145 (Duvelisib), overcomes signals from the PI3K/AKT/S6 pathway and promotes apoptosis in CLL.
Leukemia, 29 (9): 1811-22. [PMID:25917267]
3. Faia K, White K, Murphy E, Proctor J, Pink M, Kosmider N, McGovern K, Kutok J. (2018)
The phosphoinositide-3 kinase (PI3K)-δ,γ inhibitor, duvelisib shows preclinical synergy with multiple targeted therapies in hematologic malignancies.
PLoS ONE, 13 (8): e0200725. [PMID:30067771]
4. FDA. 
FDA Approves Copiktra.
Accessed on 25/09/2018. Modified on 25/09/2018. drugs.com, https://www.drugs.com/newdrugs/fda-approves-copiktra-duvelisib-capsules-chronic-lymphocytic-leukemia-small-lymphocytic-lymphoma-4822.html?utm_source=ddc&utm_medium=email&utm_campaign=FDA+Approves+Copiktra+%28duvelisib%29+Capsules+for+Chronic+Lymphocytic+Leukemia%2FSmall+Lymphocytic+Lymphoma+and+Follicular+Lymphoma
5. FDA. 
duvelisib (COPIKTRA, Verastem, Inc.) for adult patients with relapsed or refractory chronic lymphocytic leukemia (CLL) or small lymphocytic lymphoma (SLL).
Accessed on 25/09/2018. Modified on 25/09/2018. www.fda.gov, https://www.fda.gov/Drugs/InformationOnDrugs/ApprovedDrugs/ucm621503.htm?utm_campaign=Oncology%209%2F24%2F2018%20&utm_medium=email&utm_source=Eloqua&elqTrackId=af90d9a841eb4460a1049510b7a4b8e1&elq=929604b9a11d4b8cbf1547ff884e7a8c&elqaid=5216&elqat=1&elqCampaignId=4172
6. Flinn IW, O'Brien S, Kahl B, Patel M, Oki Y, Foss FF, Porcu P, Jones J, Burger JA, Jain N et al.. (2018)
Duvelisib, a novel oral dual inhibitor of PI3K-δ,γ, is clinically active in advanced hematologic malignancies.
Blood, 131 (8): 877-887. [PMID:29191916]
7. Flinn IW, Patel M, Oki Y, Horwitz S, Foss FF, Allen K, Douglas M, Stern H, Sweeney J, Kharidia J et al.. (2018)
Duvelisib, an oral dual PI3K-δ, γ inhibitor, shows clinical activity in indolent non-Hodgkin lymphoma in a phase 1 study.
Am. J. Hematol., 93 (11): 1311-1317. [PMID:30033575]
8. Lampson BL, Brown JR. (2017)
PI3Kδ-selective and PI3Kα/δ-combinatorial inhibitors in clinical development for B-cell non-Hodgkin lymphoma.
Expert Opin Investig Drugs, 26 (11): 1267-1279. [PMID:28945111]
9. O'Brien S, Patel M, Kahl BS, Horwitz SM, Foss FM, Porcu P, Jones J, Burger J, Jain N, Allen K et al.. (2018)
Duvelisib, an oral dual PI3K-δ,γ inhibitor, shows clinical and pharmacodynamic activity in chronic lymphocytic leukemia and small lymphocytic lymphoma in a phase 1 study.
Am. J. Hematol., 93 (11): 1318-1326. [PMID:30094870]
10. Ren P, Yi Liu, Wilson TE, Li L, Chan K, Rommel C. (2012)
Substituted isoquinolin-1(2H)-ones, and methods of use thereof.
Patent number: US8193182. Assignee: Intellikine, Inc.. Priority date: 04/01/2008. Publication date: 05/06/2012.
11. Robak P, Robak T. (2017)
Novel synthetic drugs currently in clinical development for chronic lymphocytic leukemia.
Expert Opin Investig Drugs, 26 (11): 1249-1265. [PMID:28942659]
12. Vangapandu HV, Jain N, Gandhi V. (2017)
Duvelisib: a phosphoinositide-3 kinase δ/γ inhibitor for chronic lymphocytic leukemia.
Expert Opin Investig Drugs, 26 (5): 625-632. [PMID:28388280]
13. Willemsen-Seegers N, Uitdehaag JCM, Prinsen MBW, de Vetter JRF, de Man J, Sawa M, Kawase Y, Buijsman RC, Zaman GJR. (2017)
Compound Selectivity and Target Residence Time of Kinase Inhibitors Studied with Surface Plasmon Resonance.
J. Mol. Biol., 429 (4): 574-586. [PMID:28043854]
14. Winkler DG, Faia KL, DiNitto JP, Ali JA, White KF, Brophy EE, Pink MM, Proctor JL, Lussier J, Martin CM et al.. (2013)
PI3K-δ and PI3K-γ inhibition by IPI-145 abrogates immune responses and suppresses activity in autoimmune and inflammatory disease models.
Chem. Biol., 20 (11): 1364-74. [PMID:24211136]