Details of the Drug

General Information of Drug (ID: DM8NX3Q)

• Drug Name: Cis-1-adamantan-1-yl-3-(4-methoxycyclohexyl)urea
• Synonyms: CHEMBL397669; CHEMBL395987; cis-1-adamantan-1-yl-3-(4-methoxycyclohexyl)urea; SCHEMBL3262525; SCHEMBL3262523; BDBM50217464; BDBM50217445

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 388.6
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C24H40N2O2
  IUPAC Name: 1-(1-adamantyl)-3-[4-(cyclohexylmethoxy)cyclohexyl]urea
  Canonical SMILES: C1CCC(CC1)COC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4
  InChI: InChI=1S/C24H40N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h17-22H,1-16H2,(H2,25,26,27)
  InChIKey: IWFDYFIMYQSEQD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16756626
  TTD ID: D08RFH

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.