UCSF

ZINC01481960

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 11 No

Popular Name: Acipimox Acipimox

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51037-30-0 , [51037-30-0]

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) -1.37 2.43 -49.71 0 5 -1 78 153.117 1 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Reductor of plasma ZereneX Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
biological_use Antihyperlipidaemic agent IBScreen Bioactives
Therapy antilipemic SMDC Pharmakon
mechanism Appears to reduce apoprotein-B-synthesis IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
mechanism Reductor of Apoprotein-B levels IBScreen Bioactives
mechanism Reductor of plasma VLDL levels IBScreen Bioactives IBScreen Bioactives
mechanism Reported adipose-tissue lipolysis-inhibitor IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 3), Eukaryotic Eukaryotes 5300 0.67 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 5300 0.67 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

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

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