MIZORIBINE

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Synonyms
Status
Molecule Category UNKNOWN
UNII 4JR41A10VP
EPA CompTox DTXSID8045777

Structure

InChI Key HZQDCMWJEBCWBR-UUOKFMHZSA-N
Smiles NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
InChI
InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N3O6
Molecular Weight 259.22
AlogP -2.7
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 151.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Bioactivity

Mechanism of Action Action Reference
GMP synthase [glutamine-hydrolyzing] inhibitor INHIBITOR PubMed
Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 2
Organism : Homo sapiens
P12268 ENSG00000178035
Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH)
Description: Inosine-5'-monophosphate dehydrogenase 1
Organism : Homo sapiens
P20839 ENSG00000106348
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
- - - - 100
Assay Description Organism Bioactivity Reference
In vitro inhibitory activity against growth of Human fibrosarcoma (HT1080) cells Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human oral epidermoid carcinoma (KB) cells Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human gaint cell carcinoma (Lu-65) cells Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human osteosarcoma (OST) cells Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human large-cell carcinoma (PC-13) cells Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human lung adenocarcinoma (PC-3) cells. Homo sapiens 100.0 ug.mL-1
In vitro inhibitory activity against growth of Human lung small-cell carcinoma (PC-6) cells Homo sapiens 49.0 ug.mL-1
In vitro inhibitory activity against growth of Human colon adenocarcinoma (SW-480) cells Homo sapiens 42.0 ug.mL-1
In vitro inhibitory activity against growth of Human bladder transitional-cell carcinoma (T-24) cells Homo sapiens 100.0 ug.mL-1
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 113.44 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 100.42 %
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 -8.48 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 17.15 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 1.169 %
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 -0.03 % 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 -0.1 % 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 -0.03 % 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 -0.1 %

Related Entries

Cross References

Resources Reference
ChEBI 31858
ChEMBL CHEMBL245019
DrugBank DB12617
DrugCentral 3363
FDA SRS 4JR41A10VP
Human Metabolome Database HMDB0041934
PDB MZR
PubChem 104762
SureChEMBL SCHEMBL7118
ZINC ZINC000003812887
CONTENTS