Details of the Drug

General Information of Drug (ID: DMETQBI)

• Drug Name: (R,S)-(-)-fenoterol
• Synonyms: CHEMBL229476; (R,S)-(-)-fenoterol; (R,S)-Fenoterol; AC1LEM4Z; SCHEMBL9971022; ZINC57319; BDBM50213106; 5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzene-1,3-diol

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); 303.35
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H21NO4
  IUPAC Name: 5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzene-1,3-diol
  Canonical SMILES: C[C@@H](CC1=CC=C(C=C1)O)NC[C@@H](C2=CC(=CC(=C2)O)O)O
  InChI: InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
  InChIKey: LSLYOANBFKQKPT-GTNSWQLSSA-N
• Cross-matching ID:
  PubChem CID: 688467
  TTD ID: D02QPP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Inhibitor	[1]
Adrenergic receptor beta-2 (ADRB2)	TT2CJVK	ADRB2_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 beta-2 (ADRB2)	DTT	ADRB2	4.88E-01	-0.05	-0.12
Adrenergic receptor beta-2 (ADRB2)	DTT	ADRB2	7.10E-01	0.06	0.09

References

• [1] Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor. J Med Chem. 2007 Jun 14;50(12):2903-15.