Details of the Drug

General Information of Drug (ID: DMDMVA1)

Drug Name

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

Synonyms

CHEMBL1088804; 2-morpholino-1,1-di(pyridin-3-yl)octan-1-ol; SCHEMBL1242942

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)

369.5

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H31N3O2
IUPAC Name: 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol
Canonical SMILES: CCCCCCC(C(C1=CN=CC=C1)(C2=CN=CC=C2)O)N3CCOCC3
InChI: InChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3
InChIKey: PUFFDHPIZWKLSX-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.