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]
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
ChEBI ID
CHEMBL388570
CAS Number
69421-37-0
TTD ID
D04JGC
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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 beta-1 (ADRB1) TTR6W5O ADRB1_HUMAN Inhibitor [1]
Adrenergic receptor beta-2 (ADRB2) TT2CJVK ADRB2_HUMAN Inhibitor [1]
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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) 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.