Details of the Drug

General Information of Drug (ID: DMI6P91)

• Drug Name: 1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol
• Synonyms: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol; 525-72-4; (+/-) Salsolinol; CHEMBL416732; 1-Methyl-6,7-dihydroxytetrahydroisoquinoline; CHEBI:88801; (R)-Salsolinol; IBRKLUSXDYATLG-UHFFFAOYSA-N; 1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol; 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-; 1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline; Sasolinol; (+)-Salsolinol; (R)-(+)-Salsolinol; (+)-(R)-Salsolinol; AC1L1H1L; Oprea1_470083; SCHEMBL1627427; CTK4J6115; 1,2,3,4-TETRAHYDRO-1-METHYL-6,7-ISOQUINOLINEDIOL

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); 179.22
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H13NO2
  IUPAC Name: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)O
  InChI: InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
  InChIKey: IBRKLUSXDYATLG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54456
  ChEBI ID: CHEBI:88801
  CAS Number: 525-72-4
  TTD ID: D04JUJ

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 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

References

• [1] D4 dopamine receptor-selective compounds from the Chinese plant Phoebe chekiangensis, Bioorg. Med. Chem. Lett. 7(9):1207-1212 (1997).