UCSF

ZINC00967917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 19 Yes

Popular Name: Practolol Practolol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6673-35-4 , [6673-35-4]

Other Names:

(+-)-Practolol

(+-)-practolol; 1-(4-acetamidophenoxy)-3-isopropylamino-2-propanol; 4'-(2-hydroxy-3-(isopropylamino)propoxy)acetanilide; N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide

olol

1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol

1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol; 4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide; AY 21011; Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-; Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-; C14H22N2O3; CCR

4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide

6673-35-4

6673-35-4; C11696; Practolol

6673-35-4; D05587; Practolol (USAN)

6673-35-4; Practolol; Prestwick_742

AB00052459

AC1L1J62

AC1Q1QBZ

Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-

Acetamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-

Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-

AKOS002685374

AY 21011

AY-21011; ICI-50172

BPBio1_000401

BRD-A41304429-001-04-9

BSPBio_000363

CCRIS 1089

CHEBI:101380; CHEBI:8348

CHEBI:258351

CHEMBL6995

CID4883

Dalzic

DAP000940

DivK1c_000901

EINECS 229-712-1

Eraldin

Eralzdin Practolol

F1288-0015

HMS1569C05

HMS2089I09

HMS502N03

ICI 50172

ICI-50172

IDI1_000901

INN

INN)

KBio1_000901

KBio2_001934

KBio2_004502

KBio2_007070

KBioGR_001497

KBioSS_001934

L000491

LS-10763

MFCD00864573

MLS002153779

MolPort-000-182-968

N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide

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

N-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide

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

N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide

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

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

NCGC00024810-02

NCGC00024810-03

NINDS_000901

Oprea1_095524

Practolol (BAN

Practolol [USAN:BAN:INN]

practolol; practololum

Practololo

Practololo [DCIT]

Practololum

Practololum [INN-Latin]

Praktololu

Praktololu [Polish]

Prestwick0_000332

Prestwick1_000332

Prestwick2_000332

Prestwick3_000332

Prestwick_742

rac Practolol

SMR001233163

SPBio_001504

SPBio_002284

Spectrum2_001572

Spectrum4_000859

Spectrum5_001123

Spectrum_001454

Teranol

Tocris-0831

UNII-SUG9176GRW

USAN

USAN)

Download: MOL2 SDF SMILES Flexibase

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) 1.03 2.03 -44.96 4 5 1 75 267.349 7 ↓
Hi High (pH 8-9.5) 1.03 0.85 -10.85 3 5 0 71 266.341 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
ALOGPS_SOLUBILITY 4.90e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy beta adrenergic agonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 700 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 700 0.45 Functional ≤ 10μM

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