Details of the Drug

General Information of Drug (ID: DMYDGAZ)

• Drug Name: 1,2,3,7,12,12a-hexahydro-1-aza-pleiaden-5-ol
• Synonyms: CHEMBL253530; 1,2,3,7,12,12a-hexahydro-1-aza-pleiaden-5-ol

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); 251.32
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H17NO
  IUPAC Name: 11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-16-ol
  Canonical SMILES: C1CNC2CC3=CC=CC=C3CC4=CC(=CC1=C24)O
  InChI: InChI=1S/C17H17NO/c19-15-8-13-5-6-18-16-10-12-4-2-1-3-11(12)7-14(9-15)17(13)16/h1-4,8-9,16,18-19H,5-7,10H2
  InChIKey: ZCATUTKNMGBMKU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44448059
  TTD ID: D0A9UF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_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

References

• [1] Advances in development of dopaminergic aporphinoids. J Med Chem. 2007 Jan 25;50(2):171-81.