LY-2334737

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Synonyms
Status
Molecule Category Free-form
UNII YLR364XYSA

Structure

InChI Key MEOYFIHNRBNEPI-UXIGCNINSA-N
Smiles CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChI
InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25F2N3O5
Molecular Weight 389.4
AlogP 1.28
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 113.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 550-760 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL577711
DrugBank DB12906
FDA SRS YLR364XYSA
PubChem 11646777
SureChEMBL SCHEMBL595762
ZINC ZINC000035996916
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