Details of the Drug

General Information of Drug (ID: DMOWMPL)

• Drug Name: METHYLNORADRENALINE
• Synonyms: Methylnoradrenaline; Isoadrenaline; Nordephrine; alpha-Methylnorepinephrine; Dioxynorepinephrine; Dihydroxyphenylpropanolamine; l-alpha-Methylnorepinephrine; 6539-57-7; 1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)-; 2-Amino-1-(3,4-dihydroxyphenyl)propan-1-ol; 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol; 3,4-Dihydrophenyl-1-amino-2-propanol-1; 4-(2-Amino-1-hydroxypropyl)-1,2-benzenediol; EINECS 229-452-9; CHEMBL764; CHEBI:81386

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); 183.2
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H13NO3
  IUPAC Name: 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol
  Canonical SMILES: CC(C(C1=CC(=C(C=C1)O)O)O)N
  InChI: InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
  InChIKey: GEFQWZLICWMTKF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3917
  ChEBI ID: CHEBI:81386
  CAS Number: 6539-57-7
  TTD ID: D06SYS

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]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

• [1] alpha 2 adrenoceptors: classification, localization, mechanisms, and targets for drugs. J Med Chem. 1982 Dec;25(12):1389-401.