ACRIVASTINE

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AX18
UNII: A20F9XAI7W

Structure
InChI Key PWACSDKDOHSSQD-IUTFFREVSA-N
Smile Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
InChI
InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N2O2
Molecular Weight 348.45
AlogP 4.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 53.43
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 11.52
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.81--3.08
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 6120 0.067 19.95 16.6-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 83168
ChEMBL CHEMBL1224
DrugBank DB09488
DrugCentral 82
EPA CompTox DTXSID6022555
FDA SRS A20F9XAI7W
Human Metabolome Database HMDB0240231
PubChem 40466858
SureChEMBL SCHEMBL4702
ZINC ZINC000003776633
CONTENTS