Details of the Drug

General Information of Drug (ID: DMIDXSN)

Drug Name

AX-048

Synonyms

CHEMBL573332

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

383.6

Logarithm of the Partition Coefficient (xlogp)

6.8

Rotatable Bond Count (rotbonds)

20

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H41NO4
IUPAC Name: ethyl 4-(2-oxohexadecanoylamino)butanoate
Canonical SMILES: CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OCC
InChI: InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(24)22(26)23-19-16-18-21(25)27-4-2/h3-19H2,1-2H3,(H,23,26)
InChIKey: FMFKQXKYWWJNJS-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-Oxoamide inhibitors of phospholipase A2 activity and cellular arachidonate release based on dipeptides and pseudodipeptides. Bioorg Med Chem. 2009 Jul 1;17(13):4833-43.