UCSF

ZINC00896958

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 No

CAS Numbers: 596-51-0 , 873295-32-0 , [596-51-0]

Other Names:

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide

.beta.-1-Methyl-3-pyrrolidyl-.alpha.-cyclopentylmandelate methobromide

1,1-Dimethyl-3-hydroxypyrrolidinium bromide .alpha.-cyclopentylmandelate

1,1-Dimethyl-3-hydroxypyrrolidinium bromide alpha-cyclopentylmandelate

1,1-Dimethyl-3-hydroxypyrrolidinium bromide alpha-cyclopentylmandelate; 1-Methyl-3-pyrrolidyl alpha-phenylcyclopentaneglycolate methobromide; 3-Hydroxy-1,1-dimethylpyrrolidinium bromide alpha-cyclopentylmandelate; AHR 504; Asecryl; Bromure de glycopyrroni

1-Methyl-3-pyrrolidinyl .alpha.-phenylcyclopentaneglycolate methobromide

1-Methyl-3-pyrrolidyl alpha-phenylcyclopentaneglycolate methobromide

3-(erythro-2-Cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidiniumbromid

3-Hydroxy-1,1-dimethylpyrrolidinium bromide .alpha.-cyclopentylmandelate

3-Hydroxy-1,1-dimethylpyrrolidinium bromide alpha-cyclopentylmandelate

3-Hydroxy-1,1-dimethylpyrrolidinium bromide-.alpha.-cyclopentylmandelate

53808-86-9

596-51-0

596-51-0; D00540; Glycopyrrolate (USP); Glycopyrronium bromide (JAN/INN); Robinul (TN); Seebri breezhaler (TN)

AC-15990

AC1L1XX0

AC1LAW54

AC1Q1RGS

AD-237

AHR 504

AHR-504

Asecryl

Bromure de glycopyrronium

Bromure de glycopyrronium [INN-French]

Bromure de ritropirronio

Bromure de ritropirronium

Bromuro de glicopirronio

Bromuro de glicopirronio [INN-Spanish]

C19H28NO3

CHEMBL1201027

CHF-5992

CID11693

Copyrrolate

CPD000469282

CPD000469282; Glycopyrrolate

CPD000469282; GLYCOPYRROLATE; SAM001246629

CPD000469282; Glycopyrrolate; SAM002589987

Cuvposa

D00540

DCL000901

EINECS 209-887-0

EP-101

FDA); Glycopyrronium Bromide (BAN

Gastrodyn

Glycopyrrolate (FDA

Glycopyrrolate (USAN

Glycopyrrolate (USP)

Glycopyrrolate bromide

Glycopyrrolate [USAN]

GlycopyrrolateIodide(MixtureofDiastereomers)

Glycopyrroni bromidum

Glycopyrronii bromidum

Glycopyrronii bromidum [INN-Latin]

Glycopyrronium

Glycopyrronium bromide

Glycopyrronium bromide (JAN/INN)

Glycopyrronium Bromide, Ritropirronium Bromide

Glycopyrronium bromide;Glycopyrrolate

HMS1570E14

HMS2051P12

HMS2094A05

I14-3643

INN

JAN); Ritropirronium Bromide (INN)

LS-138344

Mandelic acid, .alpha.-cyclopentyl-, ester with 3-hydroxy-1,1-dimethylpyrrolidinium bromide

MFCD00072137

MLS001424112

MLS002222301

MolPort-002-885-831

Nodapton

NSC 250836

NSC 251251

NSC 251252

NSC250836

NSC251251

NSC251252

NVA 237

NVA-237

PT-001

Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, bromide, alpha-cyclopentylmandelate

Pyrrolidinium, 3-((cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide

Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, .alpha.-cyclopentylmandelate

Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, alpha-cyclopentylmandelate

Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, alpha-cyclopentylmandelate (8CI)

Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide

Ritropirronium bromide

Ritropirronium bromide [INN]

Robanul

Robinal

Robinul

Robinul (TN)

ROBINUL FORTE

SAM001246629

SAM002589987

Seebri Breezhaler

SMR000469282

ST51054976

Tarodyl

Tarodyn

UNII-V92SO9WP2I

USAN

USP

USP); Glycopyrronium Bromide (BAN

WLN: T5KTJ A1 A1 COVXQR&- AL5TJ &Q &E

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) -0.85 11.13 -35.57 1 4 1 47 318.437 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.44e-04 g/l DrugBank-approved
Indications anticholinergic KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-1908; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE CRYSTALLINE POWDER; 1 bromide NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02450g; 1 bromide NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-1908; SALT: 1 bromide; SUPPLIER_COMMENTS: WHITE CRYSTALLINE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02450g; SALT: 1 bromide NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-4-E Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ACM2-1-E Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic Eukaryotes 1 0.55 Binding ≤ 10μM
ACM3-1-E Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ACM4-1-E Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ACM5-2-E Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 0.125892541 0.60 Binding ≤ 1μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 0.501187234 0.57 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 0.251188643 0.58 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 0.158489319 0.60 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 0.199526231 0.59 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 0.125892541 0.60 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 0.501187234 0.57 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 0.251188643 0.58 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 0.158489319 0.60 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 0.199526231 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
G alpha (i) signalling events
G alpha (q) signalling events
Muscarinic acetylcholine receptors

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