Details of the Drug

General Information of Drug (ID: DM70ZIF)

Drug Name
(R)-2,11-Diaminoaporphine
Synonyms (R)-2,11-Diaminoaporphine; CHEMBL455051
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) 265.35
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H19N3
IUPAC Name
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diamine
Canonical SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)N)C(=CC=C4)N
InChI
InChI=1S/C17H19N3/c1-20-6-5-11-7-12(18)9-13-16-10(3-2-4-14(16)19)8-15(20)17(11)13/h2-4,7,9,15H,5-6,8,18-19H2,1H3/t15-/m1/s1
InChIKey
SBZULQRCMCHLCL-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
44568534
TTD ID
D07IWZ

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.