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
Logarithm of the Partition Coefficient (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
ChEBI ID
CHEMBL2216863
CAS Number
1262440-25-4
UNII
2K59L7G59M
DrugBank ID
DB16137
TTD ID
D07CWH
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.