Details of the Drug

General Information of Drug (ID: DML36ZE)

Drug Name
LY-292223
Synonyms
2-(4-Morpholinyl)-4H-1-benzopyran-4-one; 2-morpholinochromone; LY-292223; CHEMBL367315; 2-morpholino-4H-chromen-4-one; 130735-56-7; U67154; AC1L2YUR; U-67154; SCHEMBL3361567; 2-morpholin-4-ylchromen-4-one; DTXSID30156701; 2-Morpholin-4-yl-chromen-4-one; QNFWERYZJLBANZ-UHFFFAOYSA-N; BDBM50098118; 2-(4-Morpholinyl)-4H-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 231.25
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H13NO3
IUPAC Name
2-morpholin-4-ylchromen-4-one
Canonical SMILES
C1COCCN1C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKey
QNFWERYZJLBANZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131255
ChEBI ID
CHEMBL367315
CAS Number
130735-56-7
TTD ID
D07APP
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin-converting enzyme (ACE) TTL69WB ACE_HUMAN Inhibitor [2]
DNA-dependent protein kinase catalytic (PRKDC) TTK3PY9 PRKDC_HUMAN Inhibitor [3]
Endothelin-converting enzyme 1 (ECE1) TTQ9RYT ECE1_HUMAN Inhibitor [2]
PI3-kinase delta (PIK3CD) TTGBPJE PK3CD_HUMAN Inhibitor [1]
PI3-kinase gamma (PIK3CG) TTHBTOP PK3CG_HUMAN Inhibitor [1]
PI3K p110 beta messenger RNA (PIK3CB mRNA) TT9H4P3 PK3CB_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Angiotensin-converting enzyme (ACE) DTT SLC33A1 2.62E-01 -0.01 -0.06
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 LY294002-geldanamycin heterodimers as selective inhibitors of the PI3K and PI3K-related family. Bioorg Med Chem Lett. 2001 Apr 9;11(7):909-13.
2 Endothelin-converting enzyme-1 inhibition and growth of human glioblastoma cells. J Med Chem. 2005 Jan 27;48(2):483-98.
3 Identification of a highly potent and selective DNA-dependent protein kinase (DNA-PK) inhibitor (NU7441) by screening of chromenone libraries. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6083-7.