Details of the Drug

General Information of Drug (ID: DMZX72E)

• Drug Name: 1-adamantan-1-yl-3-(3-hydroxypropyl)urea
• Synonyms: CHEMBL242592; SMR000144635; 1-adamantan-1-yl-3-(3-hydroxypropyl)urea; AC1M3CD5; MLS000538598; MolPort-001-628-514; HMS2462I06; ZINC2882943; 1-(3-hydroxypropyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea; STK207014; BDBM50223385; AKOS016321670; AKOS003366277; AKOS002318484; MCULE-4878985284; N-1-adamantyl-N'-(3-hydroxypropyl)urea; 1-(1-adamantyl)-3-(3-hydroxypropyl)urea; ST50766260

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 252.35
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H24N2O2
  IUPAC Name: 1-(1-adamantyl)-3-(3-hydroxypropyl)urea
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCO
  InChI: InChI=1S/C14H24N2O2/c17-3-1-2-15-13(18)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,17H,1-9H2,(H2,15,16,18)
  InChIKey: QADGUCFKHPQVSD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2235217
  TTD ID: D05MAT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Soluble epoxide hydrolase (EPHX2)	TT7WVHI	HYES_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Soluble epoxide hydrolase (EPHX2)	DTT	EPHX2	8.78E-01	-0.1	-0.27
Soluble epoxide hydrolase (EPHX2)	DTT	EPHX2	4.40E-02	-0.18	-0.42

References

• [1] 1,3-disubstituted ureas functionalized with ether groups are potent inhibitors of the soluble epoxide hydrolase with improved pharmacokinetic prope... J Med Chem. 2007 Oct 18;50(21):5217-26.