Details of the Drug

General Information of Drug (ID: DM3FQYS)

Drug Name

(R,R)-(-)-fenoterol

Synonyms

UNII-5Z64M7W0JM; CHEMBL388570; 5Z64M7W0JM; R,R-Fenoterol; Fenoterol, R,R'-; Men 1191; Fenoterol [MI]; Fenoterol [INN]; (R,R)-Fenoterol; Fenoterol [USAN]; Fenoterol [VANDF]; Fenoterol [MART.]; (R,R')-Fenoterol; Fenoterol [WHO-DD]; AC1LEM52; 69421-37-0; SCHEMBL249376; ZINC57320; BDBM50213098; 130156-24-0; UNII-22M9P70OQ9 component LSLYOANBFKQKPT-DIFFPNOSSA-N; 5-[(1R)-1-hydroxy-2-[[(2R)-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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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-[[(2R)-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+/m1/s1
InChIKey: LSLYOANBFKQKPT-DIFFPNOSSA-N

Cross-matching ID

PubChem CID: 688468
CAS Number: 69421-37-0
TTD ID: D04JGC

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.