Details of the Drug

General Information of Drug (ID: DMDWCY7)

Drug Name

AX-006

Synonyms

AX-006

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)

369.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

19

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H39NO4
IUPAC Name: N-(5-hydroxy-4-oxopentyl)-2-oxohexadecanamide
Canonical SMILES: CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)CO
InChI: InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20(25)21(26)22-17-14-15-19(24)18-23/h23H,2-18H2,1H3,(H,22,26)
InChIKey: JVJFDPHNZMYFII-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]

------------------------------------------------------------------------------------

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.