Details of the Drug

General Information of Drug (ID: DM3AWMF)

Drug Name
SB-203347
Synonyms 169527-42-8
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 573.4
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 15
Chemical Identifiers
Formula
C22H12F9NO5S
IUPAC Name
2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H12F9NO5S/c23-20(24,25)11-5-6-18(37-17-4-2-1-3-15(17)19(33)34)16(10-11)32-38(35,36)14-8-12(21(26,27)28)7-13(9-14)22(29,30)31/h1-10,32H,(H,33,34)
InChIKey
VWKSVPJJPNTCFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9808192
TTD ID
D06PLG

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Phospholipase A2 group V (PLA2G5) OTQRSKCZ PA2G5_HUMAN Gene/Protein Processing [2]
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 SB 203347, an inhibitor of 14 kDa phospholipase A2, alters human neutrophil arachidonic acid release and metabolism and prolongs survival in murine... J Pharmacol Exp Ther. 1995 Sep;274(3):1254-62.
2 Characteristics of arachidonic acid generation in human basophils: relationship between the effects of inhibitors of secretory phospholipase A2 activity and leukotriene C4 release. J Pharmacol Exp Ther. 1998 Mar;284(3):847-57.