Details of the Drug

General Information of Drug (ID: DMQ2XUE)

• Drug Name: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine
• Synonyms: 94991-73-8; (R)-1-(2,6-dimethylphenoxy)propan-2-amine; (2R)-1-(2,6-dimethylphenoxy)propan-2-amine; 2-Propanamine, 1-(2,6-dimethylphenoxy)-, (2R)-; CHEMBL147507; zlchem 1301; (R)-MEXILETINE; (R)-(-)-Mexiletine; AC1L47IL; SCHEMBL16082; BIDD:GT0498; ZINC20257; ZLE0076; DTXSID50241709; BDBM50135883; AKOS017529564; DB07129; AJ-08428; KB-209407; (2R)-1-(2,6-dimethylphenoxy)-2-propanamine; A821017; (R)-2-(2,6-Dimethyl-phenoxy)-1-methyl-ethylamine; UNII-1U511HHV4Z component VLPIATFUUWWMKC-SNVBAGLBSA-N

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); 179.26
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H17NO
  IUPAC Name: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine
  Canonical SMILES: CC1=C(C(=CC=C1)C)OC[C@@H](C)N
  InChI: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1
  InChIKey: VLPIATFUUWWMKC-SNVBAGLBSA-N
• Cross-matching ID:
  PubChem CID: 180621
  CAS Number: 94991-73-8
  UNII: 4KQ8G4M9DE
  DrugBank ID: DB07129
  TTD ID: D03NLL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_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
Urokinase-type plasminogen activator (PLAU)	DTT	PLAU	5.32E-70	1.07	1.82

References

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