Details of the Drug

General Information of Drug (ID: DMDNPML)

Drug Name
BM-162115
Synonyms
115077-66-2; 1,6-Dioxadispiro[4.1.5.1]trideca-8,11-diene-2,10-dione; 1,6-Dioxadispiro(4.1.5.1)trideca-8,11-diene-2,10-dione; BM 162115; ACMC-20ml0u; BM-162115; BM 16.2115; SCHEMBL8797307; AC1L526V; CTK0I0331
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 206.19
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H10O4
IUPAC Name
4,13-dioxadispiro[4.1.57.15]trideca-8,11-diene-3,10-dione
Canonical SMILES
C1CC2(CC3(O2)C=CC(=O)C=C3)OC1=O
InChI
InChI=1S/C11H10O4/c12-8-1-4-10(5-2-8)7-11(15-10)6-3-9(13)14-11/h1-2,4-5H,3,6-7H2
InChIKey
CAZSBBDSSNQJGI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
196711
CAS Number
115077-66-2
TTD ID
D0P0DA

Molecular Interaction Atlas of This Drug


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

Molecular Expression Atlas of This Drug

The Studied Disease Inflammation
ICD Disease Classification 1A00-CA43.1
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 Investigation on the effect of experimental phospholipase A2 inhibitors on the formyl-methionyl-leucyl-phenylalanine-stimulated chemotaxis of human leukocytes in vitro. Arzneimittelforschung. 1998 Jan;48(1):77-81.