Details of the Drug

General Information of Drug (ID: DMKWAV6)

Drug Name

3-methyl-2-morpholino-1,1-diphenylbutan-1-ol

Synonyms

CHEMBL1090793; 3-methyl-2-morpholino-1,1-diphenylbutan-1-ol

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)

325.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H27NO2
IUPAC Name: 3-methyl-2-morpholin-4-yl-1,1-diphenylbutan-1-ol
Canonical SMILES: CC(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCOCC3
InChI: InChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
InChIKey: DKXSPARARMBTSS-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.