Details of the Drug

General Information of Drug (ID: DMZSN1Y)

• Drug Name: 4-(2-aminoethyl)-2-cyclohexylphenol
• Synonyms: 4-(2-aminoethyl)-2-cyclohexylphenol; CHEMBL404150; BDBM50372980

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); 219.32
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H21NO
  IUPAC Name: 4-(2-aminoethyl)-2-cyclohexylphenol
  Canonical SMILES: C1CCC(CC1)C2=C(C=CC(=C2)CCN)O
  InChI: InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2
  InChIKey: DOCCSEDGBYCYLS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24748051
  DrugBank ID: DB07345
  TTD ID: D02WYE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-secretase (BACE)	TT8JRS7	NOUNIPROTAC	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
Beta-secretase (BACE)	DTT	NO-GeName	6.98E-04	1.03	2.84

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.