Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LH1XC916ME

Structure

InChI Key DIEPFYNZGUUVHD-UHFFFAOYSA-N
Smile O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3
InChI
InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H18ClNO3
Molecular Weight 367.83
AlogP 4.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 70.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Scleritis 1 D015423 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 851546-61-7
ChEMBL CHEMBL219046
DrugBank DB12211
FDA SRS LH1XC916ME
PubChem 12004316
SureChEMBL SCHEMBL43527
ZINC ZINC000028603970