Details of the Drug

General Information of Drug (ID: DM53R94)

Drug Name
AGN-190383
Synonyms 120755-15-9
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 340.5
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H32O5
IUPAC Name
1-(2-hydroxy-5-oxo-2H-furan-3-yl)tridecyl acetate
Canonical SMILES
CCCCCCCCCCCCC(C1=CC(=O)OC1O)OC(=O)C
InChI
InChI=1S/C19H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(23-15(2)20)16-14-18(21)24-19(16)22/h14,17,19,22H,3-13H2,1-2H3
InChIKey
QDXHMXIOLIYZHD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
149069
CAS Number
120755-15-9
TTD ID
D0HZ3Q

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phospholipase A2 (PLA2G1B) TT9V5JH PA21B_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phospholipase A2 (PLA2G1B) DTT PLA2G1B 2.65E-01 -0.08 -0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 AGN 190383, a novel phospholipase inhibitor with topical anti-inflammatory activity. Agents Actions. 1991 Sep;34(1-2):70-2.