Details of the Drug

General Information of Drug (ID: DMH89O5)

Drug Name

2-morpholino-1,1-di(pyridin-3-yl)hexan-1-ol

Synonyms

CHEMBL1088803; 2-morpholino-1,1-di(pyridin-3-yl)hexan-1-ol; SCHEMBL1242083

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)

341.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H27N3O2
IUPAC Name: 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol
Canonical SMILES: CCCCC(C(C1=CN=CC=C1)(C2=CN=CC=C2)O)N3CCOCC3
InChI: InChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3
InChIKey: MHMGSQRAIMZTJJ-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.