UCSF

ZINC00113415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Other Names:

( inverted question mark)-Atenolol

(+)-4-[2-HYDROXY-3-[(1-METHYLETHYL)-AMINO]PROPOXY]BENZENEACETAMIDE

(+-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide

(+-)-Atenolol

(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide

(-)-Atenolol; (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-; Esatenolol; Esatenolol [INN]; LS-2855

(1)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide

(?)-Atenolol

(±)-Atenolol

(R)-(+)-Atenolol

(RS)-Atenolol

(S)-(-)-Atenolol

(S)-Atenolol-d7

(S)-Atenolol; 93379-54-5; D01471; Esatenolol (JAN/INN)

(±)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide, 4-[2_-Hydroxy-3_-(isopropylamino)propoxy]phenylacetamide

(±)-Atenolol

olol

[(1-methylethyl)amino]propoxy]-

1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol

1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol; 2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid; 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; ATENOLOL; ATENOLOL

1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol; 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide

2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide

2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid

2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide

2-(4-{[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)acetamide

2-(4-{[2-hydroxy-3-(isopropylamino)propyl]oxy}phenyl)acetamide hydrochloride; 2-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide hydrochloride; 4-(2-Hydroxy-3-((isopropyl)amino)propoxy)phenylacetamide hydrochloride; Atenolol hydrochlorid

2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide

2-[4-(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-(isopropylamino)propoxy]-phenyl}acetamide

2-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide

2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide

2739235

29122-68-7

29122-68-7; ATENOLOL; CPD000036768; SAM002564193

4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide

4-[2 -Hydroxy-3 -(isopropylamino)-propoxy]phenylacetamide

4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide

60966-51-0

A 7655

A7655_SIGMA

AC-11142

AC1L1D99

AC1Q1QBX

Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-

Acetamide,2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)

Aircrit

Aircrit;Alinor;Altol;Anselol;Antipressan;Apo-Atenolol;Atcardil;Atecard;Atehexal;Atenblock;Atendol;Atenet;Ateni;Atenil;Atenol 1A pharma;Atenol acis;Atenol AL;Atenol Atid;Atenol Cophar;Atenol ct;Atenol Fecofar;Atenol Gador;Atenol Genericon;Atenol GNR;Atenol

Aircrit;Alinor;Altol;Anselol;Antipressan;Apo-Atenolol;Atcardil;Atecard;Atehexal;Atenblock;Atendol;Atenet;Ateni;Atenil;Atenol 1A pharma;Atenol AL;Atenol Atid;Atenol Cophar;Atenol Fecofar;Atenol GNR;Atenol Gador;Atenol Genericon;Atenol Heumann;Atenol MSD;At

AKOS005111050

Alinor

Altol

Anselol

Antipressan

Apo-Atenolol

ARONIS23884

Atcardil

Atecard

Atehexal

Atenblock

Atendol

Atenet

Ateni

Atenil

Atenix

Atenol

Atenol 1A Pharma

Atenol Acis

Atenol AL

Atenol Atid

Atenol Cophar

Atenol CT

Atenol Fecofar

Atenol Gador

Atenol Genericon

Atenol GNR

Atenol Heumann

Atenol MSD

Atenol NM Pharma

Atenol Nordic

Atenol PB

Atenol Quesada

Atenol Stada

Atenol Tika

Atenol Trom

Atenol Von CT

Atenol-Mepha

Atenol-Ratiopharm

Atenol-Wolff

Atenolin

Atenolol (BAN

Atenolol (JP15/USP/INN)

Atenolol [USAN:INN:BAN:JAN]

Atenolol, 98%

atenolol; atenololum

Atenolol; CPD000036768; SAM002564193

Atenololum

Atenololum [INN-Latin]

Atenomel

Atereal

Aterol

BB_SC-1519

Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-

BENZENEACETAMIDE, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, (+-)-

benzeneacetamide, 4-[2'-hydroxy-3

benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-

Betablok

Betacard

Betasyn

Betatop GE

BIM-0050109.0001

Blocotenol

Blokium

BRD-A20239487-001-02-5

BRD-K44993696-001-03-2

BRN 2739235

BSPBio_002915

C05299

Cardaxen

Cardiopress

CCRIS 4196

CHEBI:2904

CHEMBL24

CID2249

Corotenol

CPD000036768

Cuxanorm

D001262

D00235

DAP000482

DB00335

DivK1c_000057

Duraatenolol

Duratenol

EINECS 249-451-7

EINECS 262-544-7

Esatenolol (INN)

EU-0100121

Evitocor

Farnormin

FDA

Felo-Bits

Hipres

HMS1569L13

HMS1921H09

HMS2090I19

HMS2092D19

HMS500C19

HSDB 6526

HYDROXYISOPROPYLAMINOPROPOXYPHENYLACETAMID

Hypoten

I01-3572

Ibinolo

ICI 66,082

ICI 66082

ICI-66082

ICI66082

IDI1_000057

InChI=1/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)

INN

Internolol

JAN

Jenatenol

Juvental

KBio1_000057

KBio2_001844

KBio2_004412

KBio2_006980

KBio3_002415

KBioGR_000790

KBioSS_001844

L000116

Lo-Ten

Loten

Lotenal

LS-28557

LS-9707

METKIMKYRPQLGS-UHFFFAOYSA-

MFCD00057645

MFCD00074918

MFCD18711380

MLS000069622

MLS001066372

MLS001074163

MLS001304038

MolPort-001-792-717

Myocord

NA

NCGC00015007-07

NCGC00015007-13

NCGC00024566-03

NCGC00024566-04

NCGC00024566-05

NCGC00024566-06

NCGC00024566-07

Neatenol

NINDS_000057

Normalol

Normiten

Noten

Oprea1_448775

Oraday

Ormidol

Panapres

Plenacor

Premorine

Prenolol

Prenormin

Prenormine

Prinorm

SAM002564193

Scheinpharm Atenol

Seles Beta

Selobloc

Serten

Servitenol

SMR000036768

SPBio_001482

SPECTRUM1501127

Spectrum2_001411

Spectrum3_001448

Spectrum4_000435

Spectrum5_001509

Spectrum_001364

Stermin

STK528649

Tenidon

Teno-Basan

Tenobloc

Tenoblock

Tenolol

Tenoprin

Tenoretic

Tenormin

Tenormin (TN)

Tenormine

Tenormine [French]

Tensimin

Tensotin

Totamol

Tredol

Unibloc

UNII-50VV3VW0TI

Uniloc

USAN

USP)

Vasaten

Vascoten

Vericordin

Wesipin

Xaten

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.72 0.62 -46.24 5 5 1 89 267.349 8
Hi High (pH 8-9.5) 0.72 -0.56 -12.49 4 5 0 85 266.341 8

Vendor Notes

Note Type Comments Provided By
mechanism Beta-Adrenergic blocker ZereneX Building Blocks
MP 148 - 152 Enamine Building Blocks
MP 148...152 Enamine Building Blocks
MP 154 TCI
ALOGPS_SOLUBILITY 4.29e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Indications antihypertensive KeyOrganics Bioactives
biological_use Antihypertensive agent IBScreen Bioactives IBScreen Bioactives
therap beta adrenergic blocker MicroSource Spectrum
mechanism Beta-Adrenergic blocker IBScreen Bioactives IBScreen Bioactives
mechanism Beta1-receptor specific antagonist IBScreen Bioactives
Purity BP2000 APIChem
biological_use Can be used to treat cardiovascular diseases and conditions such as hypertension, coronary heart disease, arrhythmias, angina (chest pain) and IBScreen Bioactives
Patent Database Links DE2007751; US3663607; US3836671 ChEBI
Indications hypertension KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8890; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8890; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Therapy Selective beta1 adrenoceptor antagonist SMDC Iconix
biological_use to treat and reduce the risk of heart complications following myocardial infarction (heart attack) IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-3-E Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic Eukaryotes 2 0.64 Binding ≤ 10μM
ADRB1-2-E Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 600 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 1.77 0.64 Binding ≤ 1μM
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 170 0.50 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 1.77 0.64 Binding ≤ 10μM
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 1640 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
Adrenoceptors
G alpha (i) signalling events
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )