General Information of the Compound
Compound ID
CP0044680
Compound Name
(S,S)-(+)-fenoterol
    Show/Hide
Structure
Formula
C17H21NO4
Molecular Weight
303.358
Canonical SMILES
C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
    Show/Hide
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
    Show/Hide
InChIKey
LSLYOANBFKQKPT-APPDUMDISA-N
Physicochemical Property
logP
2.0576
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
92.95
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 688469
ChEMBL ID
CHEMBL389390
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC Homo sapiens (Human)  1
1
IC50 = 184.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Kd = 27542 nM
   TI
   LI
   LO
   TS
2
Ki = 3372.87 nM
   TI
   LI
   LO
   TS