Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: HVF50SMY6E

Structure

InChI Key NZHGWWWHIYHZNX-CSKARUKUSA-N
Smile COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC
InChI
InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17NO5
Molecular Weight 327.34
AlogP 3.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 84.86
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pterygium 3 D011625 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Scleredema Adultorum 0 D012592 ClinicalTrials
Sarcoidosis 0 D012507 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 53902-12-8
ChEBI 77572
ChEMBL CHEMBL415324
DrugBank DB07615
DrugCentral 2714
EPA CompTox DTXSID7023693
FDA SRS HVF50SMY6E
Guide to Pharmacology 6326
PDB D27
PubChem 5282230
SureChEMBL SCHEMBL29875
ZINC ZINC000000000797