UCSF

ZINC12496506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 Yes

Popular Name: RABEPRAZOLE SODIUM RABEPRAZOLE SODIUM

Find On: PubMed — Wikipedia — Google

CAS Numbers: 117976-89-3 , 117976-90-6 , [117976-90-6]

Other Names:

prazole

117976-89-3

117976-89-3; D08463; Eraloc (TN); Rabeprazole (INN)

117976-90-6; Aciphex (TN); D00724; Pariet (TN); Rabeprazole sodium (USAN); Sodium rabeprazole (JP16)

117976-90-6; C07865; Rabeprazole sodium

1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-

1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt; 1H-Benzimidazole,2-(((4-(3-methoxypropxy)-3-methyl-2-pyridinyl)methyl)sufinyl)-,sodium salt; 2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridyl)methyl)sulfinyl)benz

1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-; 2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole; C18H21N3O3S; Clofezone; HSDB 7321; LS-172365; Rabeprazole; Rabeprazole [BAN:INN]; Rabepra

1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-

1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1)

2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole

2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole

2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)-1H-benzimidazole

2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole

2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole

2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole

AC1L1JGC

AcipHex

Aciphex;Habeprazole;Pariet;Pariets;Rabeprazole sodium;Sodium rabeprazole

BIDD:GT0019

C063129

C07864

C18H21N3O3S

CHEBI:8768

CHEMBL1219

CID5029

CL23619

Clofezone; Rabeprazole

CPD000469174

CPD000469174; RABEPRAZOLE; 117976-89-3

CPD000469174; RABEPRAZOLE; SAM001246619

D08463

DAP000727

DB01129

dexrabeprazole

E-3810

Eraloc

Eraloc (TN)

HMS2052P03

HSDB 7321

I06-0755

INN)

INN); Rabeprazole Sodium (FDA

Irsogladine Maleate

LS-172365

LS-190091

LY-307640

LY-307640; E-3810

LY307640

MFCD00868879

MFCD02092688

MLS001401446

MolPort-005-935-061

Pariet

Pariprazole sodium

QA-8052

Rabeprazole

Rabeprazole (BAN

Rabeprazole (INN)

Rabeprazole Sodium

Rabeprazole Sodium (FDA

Rabeprazole Sodium salt

Rabeprazole sodium, 99%+

Rabeprazole [BAN:INN]

Rabeprazole [INN:BAN]

rabeprazole(1-)

Rebeprazole sodium

SAM001246619

SMR000469174

UNII-32828355LL

USAN)

USAN); Rabeprazole (BAN

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) 2.20 4.82 -40.27 2 6 1 78 360.459 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.36e-01 g/l DrugBank-approved
Purity 95% Fluorochem
Indications anti ulcerative KeyOrganics Bioactives
Indications anti ulcerative, gastroesophageal reflux disease (GERD) KeyOrganics Bioactives
Patent Database Links EP1000943; EP1222922; EP1452533; EP1466897; EP1525882; EP1552833; EP1602362; EP1611901; EP1616562; EP1652514; EP1674463; EP1681052; EP1721604; EP1728512; EP1731141; EP1747800; EP1803450; EP1837016; EP1847538; EP1875911; EP1930030; EP1935891; EP1967183; EP ChEBI
Therapy gastric acid secretion inhibitor SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00950r NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00950r NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7000 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 7000 0.29 Functional ≤ 10μM

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