MINOXIDIL

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Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC C02DC01 D11AX01
UNII 5965120SH1
EPA CompTox DTXSID9040685

Structure

InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-N
Smiles Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]
InChI
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N5O
Molecular Weight 209.25
AlogP -0.13
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 95.11
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Bioactivity

Mechanism of Action Action Reference
Sulfonylurea receptor 2, Kir6.2 opener OPENER PubMed
Protein: Sulfonylurea receptor 2, Kir6.2
Description: ATP-binding cassette sub-family C member 9
Organism : Homo sapiens
O60706 ENSG00000069431
Protein: Sulfonylurea receptor 2, Kir6.2
Description: ATP-sensitive inward rectifier potassium channel 11
Organism : Homo sapiens
Q14654 ENSG00000187486
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 92
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 93.9 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 92.39 %
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 5.6 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 32.77 %
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 -0.04 % 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 -0.04 %

Cross References

Resources Reference
ChEBI 6942
ChEMBL CHEMBL802
DrugBank DB00350
DrugCentral 1814
FDA SRS 5965120SH1
Human Metabolome Database HMDB0014494
Guide to Pharmacology 4254
KEGG D00418
PDB MXD
SureChEMBL SCHEMBL29698
ZINC ZINC000000001735
CONTENTS