UCSF

ZINC27523306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 29 Yes

Popular Name: Lovastatin Lovastatin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75225-50-2 , 75330-75-5 , [75330-75-5]

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) 4.35 11.12 -14.04 1 5 0 73 404.547 7 ↓

Vendor Notes

Note Type Comments Provided By
Indications antihypercholesterolemic KeyOrganics Bioactives

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 13 0.38 Binding ≤ 10μM
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 5 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_RAT P51639 HMG-CoA Reductase, Rat 13 0.38 Binding ≤ 1μM
HMDH_RAT P51639 HMG-CoA Reductase, Rat 13 0.38 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 28 0.36 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% )

No pre-computed analogs available. Try a structural similarity search.