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: CHEMBL81386
  CAS Number: 6539-57-7
  TTD ID: D06SYS
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE 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]
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.