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

Bioactivity

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST Other PubMed Other PubMed
Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 350-441 - 7258 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 3 -
Assay Description Organism Bioactivity Reference
K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 Homo sapiens 350.0 nM
Inhibition of human Potassium channel HERG expressed in mammalian cells Homo sapiens 436.52 nM
Inhibitory concentration against potassium channel HERG None 436.52 nM
Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) Homo sapiens 354.81 nM
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique Homo sapiens 436.52 nM
Inhibition of human ERG in MCF7 cells Homo sapiens 354.81 nM
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay Homo sapiens 2.7 nM
Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay Homo sapiens 441.0 nM
Inhibition of human ERG Homo sapiens 436.52 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 2.46 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 13.5 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.11 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.11 %

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
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