MIZOLASTINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AX25
UNII 244O1F90NA
EPA CompTox DTXSID5046801

Structure

InChI Key PVLJETXTTWAYEW-UHFFFAOYSA-N
Smiles CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChI
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25FN6O
Molecular Weight 432.5
AlogP 3.41
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 70.05
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST Other PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 350-441 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 2.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 350-441 - 2.7 -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31857
ChEMBL CHEMBL94454
DrugBank DB12523
DrugCentral 1824
FDA SRS 244O1F90NA
Human Metabolome Database HMDB0240233
Guide to Pharmacology 10102
PharmGKB PA166129535
PubChem 65906
SureChEMBL SCHEMBL5061
ZINC ZINC000013831810
CONTENTS