Details of the Drug

General Information of Drug (ID: DMED9QV)

Drug Name
INCB40093
Synonyms
Dezapelisib; 1262440-25-4; UNII-2K59L7G59M; CHEMBL2216863; INCB040093; 2K59L7G59M; Dezapelisib (USAN); Dezapelisib [USAN]; (S)-7-(1-(9H-purin-6-ylamino)ethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; SCHEMBL975754; GTPL9728; INCB40093; RSIWALKZYXPAGW-NSHDSACASA-N; INCB 40093; BDBM50004547; SB18837; example 15 [WO2011008487]; compound 67 [PMID: 22924688]; D10924; 6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; 6-(3-fluorophenyl)-3-methyl-7-((1S)-1-(9
Indication
Disease Entry ICD 11 Status REF
Lymphoma 2A80-2A86 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.5
Topological Polar Surface Area (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C20H16FN7OS
IUPAC Name
6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Canonical SMILES
CC1=CSC2=NC(=C(C(=O)N12)C3=CC(=CC=C3)F)[C@H](C)NC4=NC=NC5=C4NC=N5
InChI
InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKey
RSIWALKZYXPAGW-NSHDSACASA-N
Cross-matching ID
PubChem CID
58111426
CAS Number
1262440-25-4
TTD ID
D07CWH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PI3-kinase delta (PIK3CD) TTGBPJE PK3CD_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Lymphoma
ICD Disease Classification 2A80-2A86
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PI3-kinase delta (PIK3CD) DTT PIK3CD 4.31E-16 -0.37 -0.91
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800038471)
2 INCB40093 is a selective PI3Kdelta inhibitor with potent antiproliferative activity against human B-cell tumors.
3 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
4 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
5 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
6 PI3K-delta and PI3K-gamma inhibition by IPI-145 abrogates immune responses and suppresses activity in autoimmune and inflammatory disease models. Chem Biol. 2013 Nov 21;20(11):1364-74.
7 Targeting the phosphoinositide 3-kinase pathway in cancer. Nat Rev Drug Discov. 2009 Aug;8(8):627-44.
8 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
9 Effective "activated PI3K syndrome"-targeted therapy with the PI3K inhibitor leniolisib. Blood. 2017 Nov 23;130(21):2307-2316.
10 Parsaclisib, a potent and highly selective PI3K inhibitor, in patients with relapsed or refractory B-cell malignancies. Blood. 2019 Apr 18;133(16):1742-1752.
11 The selective class I PI3K inhibitor CH5132799 targets human cancers harboring oncogenic PIK3CA mutations. Clin Cancer Res. 2011 May 15;17(10):3272-81.