Details of the Drug

General Information of Drug (ID: DMHD1XM)

• Drug Name: Trans,trans-1,3-bis-(4-hydroxycyclohexyl)urea
• Synonyms: CHEMBL231584; 1,3-bis(4-hydroxycyclohexyl)urea; trans,trans-1,3-bis-(4-hydroxycyclohexyl)urea; SCHEMBL3195592; SCHEMBL3195603; MolPort-005-690-989; BDBM50217480; ZINC24975985; AKOS034042111; ZINC253654706

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); 256.339
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H24N2O3
  IUPAC Name: 1,3-bis(4-hydroxycyclohexyl)urea
  Canonical SMILES: C1CC(CCC1NC(=O)NC2CCC(CC2)O)O
  InChI: InChI=1S/C13H24N2O3/c16-11-5-1-9(2-6-11)14-13(18)15-10-3-7-12(17)8-4-10/h9-12,16-17H,1-8H2,(H2,14,15,18)
  InChIKey: CHWFTRBAEVNHFK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11644572
  TTD ID: D0R1YP

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.