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]
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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
CAS Number: 130735-56-7
TTD ID: D07APP

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.