EDICOTINIB

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Synonyms
Status
Molecule Category Free-form
UNII 3NU609VYNF

Structure

InChI Key BNVPFDRNGHMRJS-UHFFFAOYSA-N
Smiles CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
InChI
InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H35N5O2
Molecular Weight 461.61
AlogP 5.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 103.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Macrophage colony stimulating factor receptor inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 3.2-3.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.2-3.2 - - 95-95

Target Conservation

Protein: Macrophage colony stimulating factor receptor
Description: Macrophage colony-stimulating factor 1 receptor
Organism : Homo sapiens
P07333 ENSG00000182578

Cross References

Resources Reference
ChEMBL CHEMBL3674570
DrugBank DB12504
FDA SRS 3NU609VYNF
Guide to Pharmacology 8942
PubChem 25230468
SureChEMBL SCHEMBL4238665
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