Details of the Drug

General Information of Drug (ID: DMU3A57)

Drug Name
AR-C70484XX
Synonyms
CHEMBL30108; AR-C70484XX; SCHEMBL3688521; BDBM50110846; 4-[3-[4-(Decyloxy)phenoxy]acetonyloxy]benzoic acid; 4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic acid; 4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic acid; 4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic acid(AR-C70484XX)
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) 442.5
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 17
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C26H34O6
IUPAC Name
4-[3-(4-decoxyphenoxy)-2-oxopropoxy]benzoic acid
Canonical SMILES
CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
InChIKey
BBWMRBSEGFTSQC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9846199
TTD ID
D0W4VM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cytosolic phospholipase A2 (GIVA cPLA2) TTT1JVS PA24A_HUMAN Inhibitor [1]
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [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
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 1-Indol-1-yl-propan-2-ones and related heterocyclic compounds as dual inhibitors of cytosolic phospholipase A(2)alpha and fatty acid amide hydrolase. Bioorg Med Chem. 2010 Jan 15;18(2):945-52.