Details of the Drug

General Information of Drug (ID: DMYJAM5)

• Drug Name: (R)-(-)-10-methyl-11-hydroxyaporphine
• Synonyms: PM 1000; PM-1000; CHEMBL53510; (R)-(-)-10-methyl-11-hydroxyaporphine; 111635-19-9; 10-Methyl-11-hydroxyaporphine; 11-Hmapp; 11-Hydroxy-10-methylaporphine; AC1MIZ6C; ZINC6368; SCHEMBL1349467; DTXSID90149699; BDBM50036286; (R)-6,10-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol; 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-6,10-dimethyl-, (R)-

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); 265.3
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H19NO
  IUPAC Name: (6aR)-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
  Canonical SMILES: CC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)O
  InChI: InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1
  InChIKey: YGOZTDLAUVOPMF-OAHLLOKOSA-N
• Cross-matching ID:
  PubChem CID: 3082625
  CAS Number: 111635-19-9
  TTD ID: D04MVL

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]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_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
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
Dopamine D2 receptor (D2R)	DTT	DRD2	2.20E-03	-0.51	-1.35

References

• [1] R-(-)-N-alkyl-11-hydroxy-10-hydroxymethyl- and 10-methyl-aporphines as 5-HT1A receptor ligands. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4128-30.