Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QX6T87A52I

Structure

InChI Key AOCDRSSVFUCURK-UHFFFAOYSA-N
Smile O=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InChI
InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16O4
Molecular Weight 296.32
AlogP 3.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- 28.5 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alopecia 2 D000505 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650339
FDA SRS QX6T87A52I
PubChem 56837361
SureChEMBL SCHEMBL653870