INAMRINONE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category UNKNOWN
UNII JUT23379TN
EPA CompTox DTXSID9022603

Structure

InChI Key RNLQIBCLLYYYFJ-UHFFFAOYSA-N
Smiles Nc1cc(-c2ccncc2)c[nH]c1=O
InChI
InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N3O
Molecular Weight 187.2
AlogP 1.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 71.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Inhibition of beta-lactamase at 100 uM None 5.0 %
Inhibition of chymotrypsin at 250 uM unidentified 5.0 %
Inhibition of ADP-induced platelet aggregation in guinea pig whole blood at 5*10e-4 M Cavia porcellus 49.0 %
Inhibition of arachidonic acid induced platelet aggregation in guinea pig whole blood at 5*10e-4 M Cavia porcellus 100.0 %
Compound was tested for the inhibition of malate dehydrogenase (MDH) at 50 uM None 5.0 %
Inhibition of canine kidney Phosphodiesterase 4 Canis lupus familiaris 24.0 %
Inhibition of canine heart Phosphodiesterase 4 at 100 uM Canis lupus familiaris 52.0 %
Inhibition of MPS1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 50.0 %
Inhibition of Aurora A (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of Aurora B (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 43.0 %
Inhibition of SRC (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 12.0 %
Inhibition of RSK1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 27.0 %
Inhibition of PRAK (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of PKD2 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of PKCzeta (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 50.0 %
Inhibition of PKA (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 68.0 %
Inhibition of P38alpha (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of MSK1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 27.0 %
Inhibition of MET (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of MAPKAPK2 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 1.0 %
Inhibition of LYN (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 18.0 %
Inhibition of LCK (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 6.0 %
Inhibition of INSR (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 1.0 %
Inhibition of GSK3beta (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 9.0 %
Inhibition of FYN (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 10.0 %
Inhibition of ERK2 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of ERK1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of CK1delta (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 40.0 %
Inhibition of CHK2 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of CHK1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 68.0 %
Inhibition of AKT2 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 0.0 %
Inhibition of AKT1 (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 12.0 %
Inhibition of ABL (unknown origin) at 100 uM using peptide as substrate in presence of ATP and MgCl2 by mobility shift assay relative to control Homo sapiens 11.0 %
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 -39.64 %
Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli BLR(DE3) assessed as reduction in NADPH level using L-serine, THF and NADP+ at 6.5 or 26.5 uM incubated for 5 mins by SHMT2-MTHFD coupled reaction based fluorescence assay relative to control Homo sapiens 92.3 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 13.44 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -11.61 %
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 -0.27 % 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 -0.08 % 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 -0.08 % 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 -0.27 %

Cross References

Resources Reference
ChEBI 2686
ChEMBL CHEMBL12856
DrugBank DB01427
DrugCentral 201
FDA SRS JUT23379TN
Human Metabolome Database HMDB0015496
Guide to Pharmacology 7202
PharmGKB PA164746803
PubChem 3698
SureChEMBL SCHEMBL44012
ZINC ZINC000008673078
CONTENTS