Details of the Drug

General Information of Drug (ID: DML6SAG)

Drug Name
N-Propyl-2-phenylnorapomorphine hydrochloride
Synonyms CHEMBL550792
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) 371.5
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H25NO2
IUPAC Name
(6aR)-2-phenyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Canonical SMILES
CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)C5=CC=CC=C5)C(=C(C=C4)O)O
InChI
InChI=1S/C25H25NO2/c1-2-11-26-12-10-18-13-19(16-6-4-3-5-7-16)14-20-23(18)21(26)15-17-8-9-22(27)25(28)24(17)20/h3-9,13-14,21,27-28H,2,10-12,15H2,1H3/t21-/m1/s1
InChIKey
DSINXCRDVCZBKB-OAQYLSRUSA-N
Cross-matching ID
PubChem CID
45269974
TTD ID
D06XKX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_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 D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-Substituted-2-alkyl- and 2-arylnorapomorphines: novel, highly active D2 agonists. Bioorg Med Chem. 2009 Jul 1;17(13):4756-62.