Structure

InChI Key NNYBQONXHNTVIJ-QGZVFWFLSA-N
Smile CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21NO3
Molecular Weight 287.36
AlogP 3.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.32
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Retinoid X receptor alpha modulator PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 60370
ChEMBL CHEMBL1716091
EPA CompTox DTXSID60233938
FDA SRS Y1RAH31T6K
PDB 8QS
SureChEMBL SCHEMBL3905
ZINC ZINC000000003642