UCSF

ZINC00000128

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 21 Yes

Popular Name: Carteolol hydrochloride Carteolol hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51781-06-7 , 51781-21-6 , [51781-06-7]

Other Names:

olol

2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-

2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, monohydrochloride; 2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-,monohydrochloride; 5-(2-Hydroxy-3-tert-butylamino)propoxy-3,4-dihydroca

2(1H)-quinolinone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-, monohydrochloride

5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one

5-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)-3,4-dihydroquinolin-2(1H)-one

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2(1H)-one

51781-06-7

51781-06-7; C06874; Carteolol

51781-06-7; Carteolol (INN); D07624

51781-21-6 (mono hydrochloride)

51781-21-6; Carteolol hydrochloride (JP16/USP); Cartrol (TN); D00599; Ocupress (TN)

AB00514682

Abbott-43326

ABBOTT-43326; OPC-1085

AC1L1E05

Arteolol

Arteoptic

BPBio1_000542

BRD-A42167015-003-03-7

BSPBio_000492

C06874

C16H24N2O3

Carteol

Carteolol

Carteolol (BAN

Carteolol (INN)

Carteolol HCl

Carteolol Hydrochloride

Carteolol Monohydrochloride

Carteolol [INN:BAN]

carteolol(1+)

carteolol; carteololum

Carteololum

Carteololum [INN-Latin]

Cartrol

CHEBI:3437

CHEMBL839

CID2583

D07624

DAP000065

DB00521

Endak Hydrochloride

I14-8021

INN); Carteolol HCl (FDA

INN); Carteolol Hydrochloride (FDA

JAN

L000777

LS-142779

MFCD00864571

MFCD00941499

Mikelan

Mikelan LA

N/A

NCGC00179541-01

Ocupress

OPC-1085

Oprea1_672850

Prestwick0_000446

Prestwick1_000446

Prestwick2_000446

Prestwick3_000446

SPBio_002431

Teoptic

UNII-8NF31401XG

USAN

USAN)

USP

USP)

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) 1.96 2.8 -45.61 4 5 1 75 293.387 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.21e-01 g/l DrugBank-approved
Target Adrenergic Receptor Selleck Chemicals
Therapy beta-adrenergic blocker SMDC Pharmakon
Patent Database Links EP1555019; EP1568382; EP1602334; EP1611877; EP1717226; EP1772767; EP1967186; EP1990049; US2002082300; US2002115655; US2004147575; US2005065209; US2005227969; US2005239863; US2006020000; US2006148805; US2006154897; US2006167081; US2006258652; US2006258726 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB1-2-E Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 1.9 0.58 Binding ≤ 1μM
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 1.9 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (s) signalling events

Rings

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