UCSF

ZINC11330186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2007 33 Yes

Popular Name: Cerivastatin sodium Cerivastatin sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 143201-11-0 , 145599-86-6

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) 4.45 9.79 -51.62 2 6 -1 103 458.55 11 ↓
Lo Low (pH 4.5-6) 4.45 10.19 -65.02 3 6 0 104 459.558 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.19e-03 g/l DrugBank-withdrawn
UniProt Database Links CP2C8_HUMAN ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02030c; 1 Sodium NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02030c; 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-2-E HMG-CoA Reductase (cluster #2 Of 2), Eukaryotic Eukaryotes 10 0.34 Binding ≤ 10μM
Z81135-1-O L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 4), Other Other 7 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_RAT P51639 HMG-CoA Reductase, Rat 2.8 0.36 Binding ≤ 1μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 10 0.34 Binding ≤ 1μM
HMDH_RAT P51639 HMG-CoA Reductase, Rat 2.8 0.36 Binding ≤ 10μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 10 0.34 Binding ≤ 10μM
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 1.7 0.37 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% )