General Information of the Compound
Compound ID
CP0386941
Compound Name
N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide
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Synonyms
2'-Hydroxy-5'-(l-hydroxy-2-(2-methyl-1-phenyl-2-propylamino)ethyl)methanesulfonanilide
37000-20-7
AC1Q6VSI
C19H26N2O4S
CHEMBL1243407
MJ 9184
MJ-9184-1
Methanesulfonamide, N-(5-(2-((1,1-dimethyl-2-phenylethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-
N-(2-HYDROXY-5-(1-HYDROXY-2-(2-METHYL-1-PHENYLPROPAN-2-YLAMINO)ETHYL)PHENYL)METHANESULFONAMIDE
N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide
NSC-284704
ZINTEROL
Zinterol [INN]
Zinterolum
Zinterolum [INN-Latin]
zinterol
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Structure
Formula
C19H26N2O4S
Molecular Weight
378.494
Canonical SMILES
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
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InChI
InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3
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InChIKey
XJBCFFLVLOPYBV-UHFFFAOYSA-N
Physicochemical Property
logP
2.408
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
98.66
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 37990
SID: 12015574
ChEMBL ID
CHEMBL1243407
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
EC50 = 0.054 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( zinterol )
Drug Name zinterol
Target(s)
Adrenergic receptor beta-3 (ADRB3)
 Target Info 
Agonist