Details of the Drug

General Information of Drug (ID: DM7V58G)

Drug Name
MG149
Synonyms MG-149; MG 149
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 340.5
Logarithm of the Partition Coefficient (xlogp) 7.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H28O3
IUPAC Name
2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O
InChI
InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
InChIKey
WBHQYBZRTAEHRR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49864204
TTD ID
D0Z3MT
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone acetyltransferase KAT6B (KAT6B) TTH4VJL KAT6B_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
C-X-C motif chemokine 13 (CXCL13) OT2AT4N8 CXL13_HUMAN Gene/Protein Processing [3]
Growth-regulated alpha protein (CXCL1) OT3WCTZV GROA_HUMAN Gene/Protein Processing [3]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Basic nuclear processes affected by histone acetyltransferases and histone deacetylase inhibitors. Epigenomics. 2013 Aug;5(4):379-96.
2 6-alkylsalicylates are selective Tip60 inhibitors and target the acetyl-CoA binding site. Eur J Med Chem. 2012 Jan;47(1):337-44.
3 KAT5 (Tip60) is a potential therapeutic target in malignant pleural mesothelioma. Int J Oncol. 2016 Mar;48(3):1290-6. doi: 10.3892/ijo.2016.3335. Epub 2016 Jan 13.