Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z572ZBT8XL

Structure

InChI Key DWQVYDLTPMGYNE-DEOSSOPVSA-N
Smile CCCc1c(OCc2ccc([C@H](O)c3cccc(C(=O)O)c3)cc2)ccc(C(C)=O)c1O
InChI
InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26O6
Molecular Weight 434.49
AlogP 4.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 104.06
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 2 D008881 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297398
DrugBank DB13016
FDA SRS Z572ZBT8XL
PubChem 11611800
SureChEMBL SCHEMBL481118