Details of the Drug

General Information of Drug (ID: DMFHTEG)

Drug Name

2-morpholino-1,1,2-triphenylethanol

Synonyms

CHEMBL1091863; 2-morpholino-1,1,2-triphenylethanol

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)

359.5

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C24H25NO2
IUPAC Name: 2-morpholin-4-yl-1,1,2-triphenylethanol
Canonical SMILES: C1COCCN1C(C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2
InChIKey: HOPDHEHFNMVVFR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2493-6.