UCSF

ZINC03798763

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 30 Yes

Popular Name: Pravastatin Sodium Pravastatin Sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81093-37-0 , 81131-70-6 , [81131-70-6]

Other Names:

(+)-(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(S)-2-methylbutyryl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthyl]heptanoic acid; pravastatin acid

(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;3beta-Hydroxycompactin;Eptastatin;Mevalothin;Pravachol;Pravastatin acid;Pravastatin sodium;pravastatina;pravast

stat-

1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betaS*,deltaS*),2alpha,6alpha,8beta(R*),8aalpha))-1-Naphthaleneheptanoic acid

1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-((2S)-2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,6S,8S,8aR)-

1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-((2S)-2-methyl-1-oxobutoxy)-, (betaR,deltaR,1S,2S,6S,8S,8aR)-; 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobut

1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betas*,deltas*),2alpha,6alpha,8beta(R*),8aalpha))-

3beta-Hydroxycompactin; Eptastatin; Mevalothin; Pravachol; Pravastatin acid; Pravastatin sodium; Selektine; pravastatina; pravastatine; pravastatinum; (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronapht

3beta-Hydroxycompactin;Eptastatin;Mevalothin;Pravachol;Pravastatin acid;Pravastatin sodium;Selektine;pravastatina;pravastatine;pravastatinum;(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl

81093-37-0

81093-37-0; C01844; Pravastatin

81093-37-0; D08410; Pravastatin (INN); Pravator (TN)

81131-70-6 (hydrochloride salt)

81131-70-6; CS-514; D00893; Pravachol (TN); Pravastatin sodium (JP16/USAN)

AC1L1HJL

AC1Q5T3M

BIDD:GT0773

BRD-A71816415-236-02-7

BRD-K60511616-236-01-4

C01844

C23H36O7

CCRIS 7557

CHEBI:8360

CHEMBL1144

CID54687

CPD000469187; PRAVASTATIN Sodium; 81131-70-6

CPD000469187; PRAVASTATIN Sodium; SAM001246656

CRES Pravastatin

CS-514

CS-514; SQ-31000

D08410

DAP000550

DB00175

Elisor

Eptastatin

Eptastatin sodium

FDA)

FT-0082682

INN); Pravastatin Sodium (FDA

INN); Pravastatin Sodium (JAN

JAN

KS-5015

Liplat

Lipostat

LS-194249

LS-94713

Mevalotin

Mevinolin

MFCD00869375

MFCD00887601

nchembio.301-comp7

nchembio790-comp15

Oliprevin

Pravachol

Pravaselect

Pravastatin

Pravastatin (BAN

Pravastatin (INN)

Pravastatin (sodium salt)

Pravastatin free base

Pravastatin Sodium Salt

Pravastatin tert-Octylamine Salt

Pravastatin [INN:BAN]

pravastatin(1-)

pravastatin; pravastatina; pravastatine; pravastatinum

Pravastatina

Pravastatina [Spanish]

Pravastatine

Pravastatine [French]

Pravastatinum

Pravastatinum [Latin]

Pravator

Pravator (TN)

RMS-431

Selectin

Selektine

Selipran

Sodium; (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-((S)-2-methyl-butyryloxy)-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl]-heptanoate

SQ-31,000

SQ-31000

UNII-KXO2KT9N0G

USAN

USAN)

Vasten

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) 2.15 6.73 -54.29 3 7 -1 127 423.526 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.42e-01 g/l DrugBank-approved
biological_use Antihypercholesterolaemic agent IBScreen Bioactives
Indications antihypercholesterolemic KeyOrganics Bioactives
Therapy antihyperlipidemic, HMGCoA reductase inhibitor SMDC Pharmakon
UniProt Database Links CPS2_STRCC; S22A8_RAT; SO1B1_HUMAN ChEBI
mechanism HMG CoA reductase inhibitor IBScreen Bioactives
Target HMG-CoA Reductase Selleck Chemicals
biological_use Increases receptor-mediated catabolism of low density lipoprotein IBScreen Bioactives IBScreen Bioactives
biological_source Isol. from Absidia coerulea ZereneX Building Blocks
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02590p; 1 Sodium NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02590p; SALT: 1 Sodium NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.39 Binding ≤ 10μM
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 32 0.35 Binding ≤ 10μM
ERG1-2-E Squalene Monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
ERG7-2-E Lanosterol Synthase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
FDFT-2-E Squalene Synthetase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 329 0.30 Functional ≤ 10μM
Z81020-2-O HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other Other 5100 0.25 Functional ≤ 10μM
Z81135-1-O L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 4), Other Other 7600 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_RAT P51639 HMG-CoA Reductase, Rat 13 0.37 Binding ≤ 1μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 30 0.35 Binding ≤ 1μM
HMDH_RAT P51639 HMG-CoA Reductase, Rat 13 0.37 Binding ≤ 10μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 30 0.35 Binding ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 5100 0.25 Functional ≤ 10μM
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 1519 0.27 Functional ≤ 10μM
ERG7_HUMAN P48449 Lanosterol Synthase, Human 430 0.30 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 141 0.32 Functional ≤ 10μM
ERG1_HUMAN Q14534 Squalene Monooxygenase, Human 430 0.30 Functional ≤ 10μM
FDFT_HUMAN P37268 Squalene Synthetase, Human 430 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
PPARA activates gene expression

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