Details of the Drug

General Information of Drug (ID: DMS2OY9)

Drug Name

3-(6-morpholino-9H-purin-2-yl)phenol

Synonyms

3-(6-morpholino-9H-purin-2-yl)phenol; CHEMBL593515; SCHEMBL4443377; FUDQNOGEMXSUSQ-UHFFFAOYSA-N

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)

297.31

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H15N5O2
IUPAC Name: 3-(6-morpholin-4-yl-7H-purin-2-yl)phenol
Canonical SMILES: C1COCCN1C2=NC(=NC3=C2NC=N3)C4=CC(=CC=C4)O
InChI: InChI=1S/C15H15N5O2/c21-11-3-1-2-10(8-11)13-18-14-12(16-9-17-14)15(19-13)20-4-6-22-7-5-20/h1-3,8-9,21H,4-7H2,(H,16,17,18,19)
InChIKey: FUDQNOGEMXSUSQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine/threonine-protein kinase mTOR (mTOR)	TTCJG29	MTOR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Serine/threonine-protein kinase mTOR (mTOR)	DTT	MTOR	2.16E-05	-0.44	-2.3

Molecular Expression Atlas (MEA)

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References

1	Novel purine and pyrazolo[3,4-d]pyrimidine inhibitors of PI3 kinase-alpha: Hit to lead studies. Bioorg Med Chem Lett. 2010 Jan 15;20(2):636-9.