Details of the Drug

General Information of Drug (ID: DMKJWMC)

Drug Name
(R)-11-Amino-2-methoxyaporphine
Synonyms CHEMBL506721; (R)-11-Amino-2-methoxyaporphine
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) 280.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H20N2O
IUPAC Name
(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-amine
Canonical SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)OC)C(=CC=C4)N
InChI
InChI=1S/C18H20N2O/c1-20-7-6-12-8-13(21-2)10-14-17-11(4-3-5-15(17)19)9-16(20)18(12)14/h3-5,8,10,16H,6-7,9,19H2,1-2H3/t16-/m1/s1
InChIKey
RHZAGARGKYFZJB-MRXNPFEDSA-N
Cross-matching ID
PubChem CID
44568533
TTD ID
D02YCY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [1]
Dopamine D1 receptor (D1R) TTZFYLI DRD1_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
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
5-HT 1A receptor (HTR1A) DTT HTR1A 5.70E-01 -0.13 -0.53
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and pharmacological investigation of novel 2-aminothiazole-privileged aporphines. Bioorg Med Chem. 2008 Jul 15;16(14):6675-81.