Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q5BB91JL0V

Structure

InChI Key WHIWGRCYMQLLAO-UHFFFAOYSA-N
Smile CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1
InChI
InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N2O
Molecular Weight 242.32
AlogP 3.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 48.14
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 218457-67-1
ChEMBL CHEMBL1420319
DrugBank DB15279
EPA CompTox DTXSID00370659
FDA SRS Q5BB91JL0V
Guide to Pharmacology 10517
PubChem 2735289
SureChEMBL SCHEMBL4638726
ZINC ZINC000000152719