General Information of the Compound
Compound ID
CP0041553
Compound Name
5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)benzene-1,3-diol
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Synonyms
1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane
1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane
3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol
5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol
5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol
Berotec
Berotec (TN)
Berotek
Fenoterol
Fenoterol (USAN/INN)
Fenoterol [USAN:BAN:INN]
Fenoterolum
Fenoterolum [INN-Latin]
P-Hydroxyphenyl-orciprenaline
P-Hydroxyphenylorciprenaline
Phenoterol
TH 1165A
Th-1165a
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Structure
Formula
C17H21NO4
Molecular Weight
303.358
Canonical SMILES
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
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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
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InChIKey
LSLYOANBFKQKPT-UHFFFAOYSA-N
CAS
13392-18-2
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).

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PubChem ID
CID: 3343
SID: 14898535
ChEMBL ID
CHEMBL32800
DrugBank ID
DB01288
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 139 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 126 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 100 nM
Clinical Information about the Compound
Drug 1 ( Fenoterol )
Drug Name Fenoterol
Company Boehriger Ingelheim
Indication
Asthma
Approved
Target(s)
Adrenergic receptor beta-2 (ADRB2)
Agonist