ACRIVASTINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AX18
UNII A20F9XAI7W
EPA CompTox DTXSID6022555

Structure

InChI Key PWACSDKDOHSSQD-IUTFFREVSA-N
Smiles 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

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 16.6-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 0-100

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Related Entries

Cross References

Resources Reference
ChEBI 83168
ChEMBL CHEMBL1224
DrugBank DB09488
DrugCentral 82
FDA SRS A20F9XAI7W
Human Metabolome Database HMDB0240231
PubChem 5284514
SureChEMBL SCHEMBL4702
ZINC ZINC000003776633
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