General Information of the Compound
Compound ID
CP0087906
Compound Name
2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide
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Synonyms
(+-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide
(+-)-Atenolol
(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide
(1)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide
(inverted question mark)-Atenolol
1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol
2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid
2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide
2-[4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl]acetamide
2-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide
4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide
4-[2-Hydroxy-3-(isopropylamino)-propoxy]phenylacetamide
A 7655
Acetamide,2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)
Aircrit
Alinor
Altol
Anselol
Antipressan
Apo-Atenolol
Atcardil
Atecard
Atehexal
Atenblock
Atendol
Atenet
Ateni
Atenil
Atenol
Atenol 1A pharma
Atenol AL
Atenol Atid
Atenol Cophar
Atenol Fecofar
Atenol GNR
Atenol Gador
Atenol Genericon
Atenol Heumann
Atenol MSD
Atenol NM Pharma
Atenol Nordic
Atenol PB
Atenol Quesada
Atenol Stada
Atenol Tika
Atenol Trom
Atenol acis
Atenol ct
Atenol von ct
Atenol-Mepha
Atenol-Wolff
Atenol-ratiopharm
Atenolin
Atenolol
Atenolol (JP15/USP/INN)
Atenolol [USAN:INN:BAN:JAN]
Atenololum
Atenololum [INN-Latin]
Atenomel
Atereal
Aterol
Betablok
Betacard
Betasyn
Betatop Ge
Blocotenol
Blokium
Cardaxen
Cardiopress
Corotenol
Cuxanorm
Duraatenolol
Duratenol
Evitocor
Farnormin
Felo-Bits
Hipres
Hypoten
Ibinolo
Internolol
Jenatenol
Juvental
Lo-ten
Loten
Lotenal
Myocord
Neatenol
Normalol
Normiten
Noten
Oraday
Ormidol
Panapres
Plenacor
Premorine
Prenolol
Prenormine
Prinorm
Scheinpharm Atenol
Seles beta
Selobloc
Serten
Servitenol
Stermin
Tenidon
Teno-basan
Tenobloc
Tenoblock
Tenolol
Tenoprin
Tenormin
Tenormin (TN)
Tenormine
Tenormine [French]
Tensimin
Tensotin
Tredol
Unibloc
Uniloc
Vascoten
Vericordin
Wesipin
Xaten
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Structure
Formula
C14H22N2O3
Molecular Weight
266.341
Canonical SMILES
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
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InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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InChIKey
METKIMKYRPQLGS-UHFFFAOYSA-N
CAS
60966-51-0
29122-68-7
Physicochemical Property
logP
0.4521
Rotatable Bonds
8
Heavy Atom Count
19
Polar Areas
84.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 2249
SID: 14799140
ChEMBL ID
CHEMBL24
DrugBank ID
DB00335
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 210 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 1513.56 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.77 nM
2 IC50 = 260 nM
3 IC50 = 600 nM
4 IC50 = 1640 nM
5 IC50 = 1740 nM
6 Ki = 150 nM
7 Ki = 170 nM
8 Ki = 430 nM
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Kd = 1200 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 9549.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3162.3 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Atenolol )
Drug Name Atenolol
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
Antagonist