Details of the Drug

General Information of Drug (ID: DMZY6VX)

• Drug Name: 3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline
• Synonyms: CHEMBL59719; 3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline; 3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline; SCHEMBL7512740; Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-7-nitro-; OTVSEAHLIUCIKT-UHFFFAOYSA-N; BDBM50077543

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); 192.21
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H12N2O2
  IUPAC Name: 3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
  Canonical SMILES: CC1CC2=C(CN1)C=C(C=C2)[N+](=O)[O-]
  InChI: InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3
  InChIKey: OTVSEAHLIUCIKT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15407445
  ChEBI ID: CHEMBL59719
  TTD ID: D01SRS
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]

References

• [1] Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoqui... Bioorg Med Chem Lett. 2005 Feb 15;15(4):1143-7.