UCSF

ZINC04097383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 41 No

Popular Name: Pancuronium bromide Pancuronium bromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15500-66-0 , [15500-66-0]

Other Names:

(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide; 2beta,16beta-dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate dimethobromide; 3alpha,17beta-diacetoxy-2beta,16beta-dipiperidino-5al

ium

1,1'-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide; 1,1'-(3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide; 1,1'-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylen

1,1?-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(Acetyloxy)androstane-2,16-diyl]bis(1-methylpiperidinium) dibromide

15500-66-0; D00492; Pancuronium bromide (JP16/USAN/INN); Pavulon (TN)

3-alpha,17-beta-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethiodide; 5-alpha-Androstan-3-alpha,17-beta-diol, 2-beta,16-beta-dipipecolinio-, diiodide, diacetate; LS-116485; Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-a

360

BAN

Bromure de pancuronium [inn-french]

Bromure de pancuronium [inn-french];Bromuro de pancuronio [inn-spanish];Pancuronium bromide;Pancuronium dibromide

bromure de pancuronium; bromuro de pancuronio; pancuronii bromidum; pancuronium bromide

Bromuro de pancuronio [inn-spanish]

C07551; Pancuronium

CHEBI:406486

FDA

INN

JAN

Mioblock

Mioblock; Pavulon

ORG NA 97; ORG-NA 97

ORG-NA 97

Pancuronium

Pancuronium Bromide

Pancuronium Bromide (BAN

Pancuronium Bromide (FDA

Pancuronium dibromide

Pavulon

USAN)

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibr; omide

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) -1.62 6.61 -81.58 0 6 2 52 572.875 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 10.055 Bitter DB
ALOGPS_SOLUBILITY 3.08e-06 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0032261A1; EP0036742A1; EP0067480A1; EP0127726A1; EP0143557A2; EP0145240A2; EP0149242A2; EP0150115A2; EP0181055A1; EP0182765A2; EP0182765B1; EP0186210A2; EP0186210B1; EP0190833A2; EP0190833B1; EP0193926A2; EP0208497A2; EP0208497B1; EP0219524A1; EP021952 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN1-2-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KCNN2-2-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KCNN3-2-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN1_HUMAN Q92952 Small Conductance Calcium-activated Potassium Channel Protein 1, Human 3500 0.19 Binding ≤ 10μM
KCNN2_HUMAN Q9H2S1 Small Conductance Calcium-activated Potassium Channel Protein 2, Human 3500 0.19 Binding ≤ 10μM
KCNN3_HUMAN Q9UGI6 Small Conductance Calcium-activated Potassium Channel Protein 3, Human 3500 0.19 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels

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