Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: EZ15I5D6C1

Structure

InChI Key RUJBDQSFYCKFAA-HNNXBMFYSA-N
Smile CC[C@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChI
InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N2O4
Molecular Weight 382.46
AlogP 4.44
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 61.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 2 D043183 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 82059-50-5
ChEMBL CHEMBL2107331
DrugBank DB06582
EPA CompTox DTXSID00231554
FDA SRS EZ15I5D6C1
PubChem 204105
SureChEMBL SCHEMBL236796
ZINC ZINC000000608106