UCSF

ZINC03920720

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 40 No

Popular Name: 5-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-2-isopropyl-N,4-diphenyl-pyrrol 5-(4-fluorophenyl)-1-[2-(4-hydro…

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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) 6.15 0.91 -19.29 2 6 0 80 540.635 8 ↓

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 7 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_RAT P51639 HMG-CoA Reductase, Rat 25 0.27 Binding ≤ 1μM
HMDH_RAT P51639 HMG-CoA Reductase, Rat 25 0.27 Binding ≤ 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.