TOLIMIDONE

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Synonyms
Status
Molecule Category Free-form
UNII MU3JD8E9IS
EPA CompTox DTXSID50194786

Structure

InChI Key HJQILFPVRNHTIG-UHFFFAOYSA-N
Smiles Cc1cccc(Oc2cnc(=O)[nH]c2)c1
InChI
InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10N2O2
Molecular Weight 202.21
AlogP 2.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase Lyn positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
63 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
63 - - - -

Target Conservation

Protein: Tyrosine-protein kinase Lyn
Description: Tyrosine-protein kinase Lyn
Organism : Homo sapiens
P07948 ENSG00000254087

Cross References

Resources Reference
ChEMBL CHEMBL8030
FDA SRS MU3JD8E9IS
Guide to Pharmacology 9433
SureChEMBL SCHEMBL21168610
ZINC ZINC000017120697
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