UCSF

ZINC04026151

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 30 Yes

Popular Name: [8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-3,7,8a-trimethyl-2,3,7,8-tetrahydro-1H-naphthalen [8-[2-(4-hydroxy-6-oxo-tetrahydr…

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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) 4.59 1.84 -9.99 1 5 0 72 418.574 7 ↓

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 3 0.40 Binding ≤ 10μM
Z81020-2-O HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other Other 7 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_RAT P51639 HMG-CoA Reductase, Rat 3 0.40 Binding ≤ 1μM
HMDH_RAT P51639 HMG-CoA Reductase, Rat 3 0.40 Binding ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 7 0.38 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% )