licofeloneImported
A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine substituted by methyl, methyl, carboxymethyl, 4-chlorophenyl, and phenyl groups at positions 2, 2, 5, 6, and 7, respectively. It is a dual inhibitor of cyclooxygenase isoforms and 5-lipoxygenase and is under development for treatment of osteoarthritis.
Defined bychebi
Exact Synonyms
[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid
Related Synonyms
6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid
licofelona
licofelone
licofelonum
ML 3000
ML-3000
ML3000
[2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid
class Information
charge
0
formula
C23H22ClNO2
has_dbxref
- CAS:156897-06-2
- DrugBank:DB04725
- HMDB:HMDB0254080
- Patent:CZ20080621
- PDBeChem:LCF
- PMID:11671883
- PMID:12099169
- PMID:12136904
- PMID:15028114
- PMID:16448396
- PMID:17695530
- PMID:18268076
- PMID:18550688
- PMID:21681808
- PMID:21885812
- PMID:29163396
- PMID:29789101
- PMID:29891506
- PMID:30709010
- PMID:31471100
- PMID:31562745
- PMID:32949599
- PMID:33852076
- PMID:34395219
- PMID:34517113
- PMID:35923080
- PMID:37233919
- PMID:38173598
- PMID:39062118
- PMID:39395583
- PMID:9514627
- Wikipedia:Licofelone
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
inchikey
UAWXGRJVZSAUSZ-UHFFFAOYSA-N
in_subset
mass
379.880
monoisotopicmass
379.13391
smiles
CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1
class Relations
Subclass of
- monocarboxylic acidchebi
- pyrrolizineschebi
- monochlorobenzeneschebi
- has rolerosomenon-steroidal anti-inflammatory drugchebi
- has rolerosomeanalgesicchebi
- has rolerosomeEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitorchebi
- has rolerosomeantineoplastic agentchebi
- has rolerosomeanticonvulsantchebi
- has rolerosomeneuroprotective agentchebi
- has rolerosomeEC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitorchebi