LY2452473

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Synonyms
Status
Molecule Category Free-form
UNII XKW9MYF94Y
EPA CompTox DTXSID50145591

Structure

InChI Key IHIWYQYVBNODSV-KRWDZBQOSA-N
Smiles CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChI
InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N4O2
Molecular Weight 374.44
AlogP 3.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 79.94
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor modulator MODULATOR PubMed

Target Conservation

Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Cross References

Resources Reference
ChEMBL CHEMBL3542265
DrugBank DB12573
FDA SRS XKW9MYF94Y
SureChEMBL SCHEMBL2023681
ZINC ZINC000067802526
CONTENTS