ACIPIMOX

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: C10AD06
UNII: K9AY9IR2SD

Structure
InChI Key DJQOOSBJCLSSEY-UHFFFAOYSA-N
Smile Cc1cnc(C(=O)O)c[n+]1[O-]
InChI
InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N2O3
Molecular Weight 154.12
AlogP -0.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 77.13
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.11
Enzyme Transferase
- - - - 8.596
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.61-13.02
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Hydroxycarboxylic acid receptor
5300 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Bulimia Nervosa 2 D052018 ClinicalTrials
Metabolic Syndrome 2 D024821 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Feeding and Eating Disorders 2 D001068 ClinicalTrials

Cross References

Resources Reference
ChEBI 94688
ChEMBL CHEMBL345714
DrugBank DB09055
DrugCentral 76
EPA CompTox DTXSID2046202
FDA SRS K9AY9IR2SD
Guide to Pharmacology 1596
PubChem 5310993
SureChEMBL SCHEMBL48922
ZINC ZINC000001481960
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