ANTAZOLINE

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Synonyms
Status
Molecule Category Free-form
ATC R01AC04 R06AX05
UNII DHA8014SS1
EPA CompTox DTXSID3022613

Structure

InChI Key REYFJDPCWQRWAA-UHFFFAOYSA-N
Smiles c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChI
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N3
Molecular Weight 265.36
AlogP 2.69
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 27.63
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

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
- - 72.44-72.44 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 72.44-72.44 - -

Cross References

Resources Reference
ChEBI 84115
ChEMBL CHEMBL1305
DrugBank DB08799
DrugCentral 224
FDA SRS DHA8014SS1
Human Metabolome Database HMDB0015689
Guide to Pharmacology 7116
PubChem 2200
SureChEMBL SCHEMBL9437
ZINC ZINC000000057204
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