Details of the Drug

General Information of Drug (ID: DMWN1CM)

Drug Name

4-(2-(thiophen-2-yl)-9H-purin-6-yl)morpholine

Synonyms

CHEMBL604876; 4-(2-(thiophen-2-yl)-9H-purin-6-yl)morpholine; SCHEMBL4439490

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)

287.34

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C13H13N5OS
IUPAC Name: 4-(2-thiophen-2-yl-7H-purin-6-yl)morpholine
Canonical SMILES: C1COCCN1C2=NC(=NC3=C2NC=N3)C4=CC=CS4
InChI: InChI=1S/C13H13N5OS/c1-2-9(20-7-1)11-16-12-10(14-8-15-12)13(17-11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,14,15,16,17)
InChIKey: WKJDCMFOOMWIQG-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.