Details of the Drug

General Information of Drug (ID: DMBXRKS)

Drug Name

(R)-1-((S)-morpholin-2-yl)-1,2-diphenylethanol

Synonyms

CHEMBL207712; (R)-1-((S)-morpholin-2-yl)-1,2-diphenylethanol; SCHEMBL14202964

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)

283.4

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H21NO2
IUPAC Name: (1R)-1-[(2S)-morpholin-2-yl]-1,2-diphenylethanol
Canonical SMILES: C1CO[C@@H](CN1)[C@@](CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C18H21NO2/c20-18(16-9-5-2-6-10-16,17-14-19-11-12-21-17)13-15-7-3-1-4-8-15/h1-10,17,19-20H,11-14H2/t17-,18+/m0/s1
InChIKey: VGJFVJKZCAUGKE-ZWKOTPCHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_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
Norepinephrine transporter (NET)	DTT	SLC6A2	7.05E-01	7.02E-03	0.07

Molecular Expression Atlas (MEA)

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References

1	Discovery of novel and selective tertiary alcohol containing inhibitors of the norepinephrine transporter. Bioorg Med Chem Lett. 2006 Apr 1;16(7):2022-5.