UCSF

ZINC02386791

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 29 No

Popular Name: 24-Hydroxycholesterol 24-Hydroxycholesterol

Find On: PubMed — Wikipedia — Google

CAS Number: 474-73-7

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) 6.21 9.77 -2.95 2 2 0 40 402.663 5 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CP39A_HUMAN; CP39A_MOUSE ChEBI
UniProt Database Links CP39A_HUMAN; CP39A_MOUSE; CP46A_HUMAN; CP46A_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0107368A2; EP0289636A1; EP0942918A2; US4490195; US5856202; US5919762; WO1998024800A2; WO1999044442A1 IBM Patent Data
Reactome Database Links REACT_10066; REACT_10099; REACT_10129; REACT_9979 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NR1H3-2-E LXR-alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 130 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NR1H3_HUMAN Q13133 LXR-alpha, Human 130 0.33 Binding ≤ 1μM
NR1H3_HUMAN Q13133 LXR-alpha, Human 130 0.33 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Endogenous sterols
Synthesis of bile acids and bile salts via 24-hydroxycholesterol

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