Details of the Drug

General Information of Drug (ID: DMLVMJH)

• Drug Name: N,N'-dicyclohexyl-urea
• Synonyms: 1,3-Dicyclohexylurea; n,n'-dicyclohexylurea; 2387-23-7; Dicyclohexylurea; Urea, N,N'-dicyclohexyl-; UNII-ZV7823VVIM; ZV7823VVIM; CHEMBL1458; N,N'-Dicyclohexylurea, 98%; ADFXKUOMJKEIND-UHFFFAOYSA-N; MFCD00003829; Urea,3-dicyclohexyl-; Urea,N'-dicyclohexyl-; N,N inverted exclamation marka-Dicyclohexylurea; Urea, 1,3-dicyclohexyl-; dicylohexylurea; dicylcohexylurea; dicylohexyl urea; dicyclohexyl-urea; dicyclohexyl urea; DCW; EINECS 219-213-7; NSC 30023; NSC 17013; n.n'-dicyclohexylurea; Rupatadine Impurity 1; 1,3-dicyclohexyl-urea

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); 224.34
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H24N2O
  IUPAC Name: 1,3-dicyclohexylurea
  Canonical SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2
  InChI: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
  InChIKey: ADFXKUOMJKEIND-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4277
  ChEBI ID: CHEBI:93429
  CAS Number: 2387-23-7
  TTD ID: D0RX9W

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] Orally bioavailable potent soluble epoxide hydrolase inhibitors. J Med Chem. 2007 Aug 9;50(16):3825-40.