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
Structure
3D MOL 2D MOL
#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
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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