Details of the Drug

General Information of Drug (ID: DMZ43N1)

Drug Name

N-adamantyl-N'-cyclohexylurea

Synonyms

CHEMBL242255; N-1-adamantyl-N'-cyclohexylurea; AC1NMPQQ; Urea-based compound, 13; ChemDiv3_000178; Oprea1_419513; 1-adamantyl-3-cyclohexylurea; MLS000719875; SCHEMBL653168; BDBM25732; MolPort-003-713-177; HMS2616F12; HMS1473I02; 3-adamantan-1-yl-1-cyclohexylurea; 1-(1-adamantyl)-3-cyclohexylurea; ZINC3895072; AKOS001483388; MCULE-6291906995; 1-(Adamantane-1-yl)-3-cyclohexylurea; IDI1_019496; N-adamantanyl(cyclohexylamino)carboxamide; NCGC00177652-01; SMR000304404; EU-0000129; ST51030996; US8815951, 192; SR-01000389488

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)

276.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H28N2O
IUPAC Name: 1-(1-adamantyl)-3-cyclohexylurea
Canonical SMILES: C1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)
InChIKey: VESXWSWSGQONHC-UHFFFAOYSA-N