General Information of the Compound
Compound ID
CP0295726
Compound Name
Procaterol
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Synonyms
(R*,S*)-(+-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
5-[1-hydroxy-2-(propan-2-ylamino)butyl]quinoline-2,8-diol
8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
Meptin
Meptin (TN)
OPC-2009
Procaterol
Procaterol (INN)
Procaterol Monohydrochloride
Procaterol [INN:BAN]
Procaterolo
Procaterolo [DCIT]
Procaterolum
Procaterolum [INN-Latin]
Procaterolum [Latin]
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Structure
Formula
C16H22N2O3
Molecular Weight
290.363
Canonical SMILES
CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12
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InChI
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
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InChIKey
FKNXQNWAXFXVNW-UHFFFAOYSA-N
CAS
60443-17-6
Physicochemical Property
logP
2.0437
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
85.35
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 4916
SID: 14873358
ChEMBL ID
CHEMBL160519
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 33 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 79.43 nM
Protein ID: PT01005, D(2) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 86000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Procaterol )
Drug Name Procaterol
Indication
Asthma
Approved
Target(s)
Adrenergic receptor beta-2 (ADRB2)
 Target Info 
Agonist