Details of the Drug

General Information of Drug (ID: DMAGW3R)

Drug Name

[1-(4-p-Tolyl-butyl)-piperidin-4-yl]-methanol

Synonyms

CHEMBL570915

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)

261.399

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H27NO
IUPAC Name: [1-[4-(4-methylphenyl)butyl]piperidin-4-yl]methanol
Canonical SMILES: CC1=CC=C(C=C1)CCCCN2CCC(CC2)CO
InChI: InChI=1S/C17H27NO/c1-15-5-7-16(8-6-15)4-2-3-11-18-12-9-17(14-19)10-13-18/h5-8,17,19H,2-4,9-14H2,1H3
InChIKey: VTDHRHRPPVJGSU-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 Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5043-7.