General Information of the Compound
Compound ID
CP0066323
Compound Name
CAS_73573-87-2
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Synonyms
(+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide
3-formylamino-4-hydroxy-alpha-(N-1-methyl-2-p-methoxyphenethylaminomethyl)benzyl alcohol.hemifumarate
Atimos (TN)
Atock (TN)
Foradil (TN)
Foradile
Foradile (TN)
Formoterol
Formoterol (INN)
Formoterol tartrate
Formoterol, ((R*,R*)-(+-)-)-isomer
MOLI000351
Modulite (TN)
N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
Oxeze (TN)
Oxeze Turbuhaler Foradil
Oxis (TN)
Perforomist (TN)
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Structure
Formula
C19H24N2O4
Molecular Weight
344.411
Canonical SMILES
COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
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InChI
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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InChIKey
BPZSYCZIITTYBL-UHFFFAOYSA-N
CAS
73573-87-2
Physicochemical Property
logP
2.2233
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
90.82
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 3410
SID: 14875897
ChEMBL ID
CHEMBL1256786
DrugBank ID
DB00983
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: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS
2
Ki = 315 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 86 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 630.96 nM
2 Ki = 319 nM
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 0.19 nM
   TI
   LI
   LO
   TS
2
Ki = 33 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  4
1
EC50 = 0.5012 nM
   TI
   LI
   LO
   TS
2
Ki = 2.6 nM
   TI
   LI
   LO
   TS
3
Ki = 23 nM
   TI
   LI
   LO
   TS
4
Ki = 26 nM
   TI
   LI
   LO
   TS
CL000246 NCI-H292 Homo sapiens (Human)  3
1
EC50 = 0.5012 nM
   TI
   LI
   LO
   TS
2
EC50 = 1 nM
   TI
   LI
   LO
   TS
3
EC50 = 2.512 nM
   TI
   LI
   LO
   TS
CL000612 BEAS-2B Homo sapiens (Human)  1
1
EC50 = 2.512 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 2.512 nM
2 Ki = 2.6 nM
Protein ID: PT01493, Beta-3 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 25.12 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 13000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1626 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Formoterol )
Drug Name Formoterol
Company Norvatis Phamaceuticals Corporation
Indication
Asthma
Approved
Target(s)
Adrenergic receptor beta-2 (ADRB2)
Agonist