Details of the Drug

General Information of Drug (ID: DMNXU1O)

Drug Name

1-adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea

Synonyms

CHEMBL387034; AC1MG4WB; 1-adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea; SCHEMBL4349264; MolPort-001-589-466; BDBM100357; ZINC5041294; STK455719; BDBM50191877; AKOS003332205; MCULE-1433138775; ST50939640; SR-01000276706; 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea; US8501783, 1158; SR-01000276706-1; N-adamantanyl{[1-benzyl(4-piperidyl)]amino}carboxamide

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)

367.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C23H33N3O
IUPAC Name: 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea
Canonical SMILES: C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5
InChI: InChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
InChIKey: SZCGIFNKYJVHTL-UHFFFAOYSA-N