Details of the Drug

General Information of Drug (ID: DM73E0G)

Drug Name
ST-2741
Synonyms ST-2741; CHEMBL564876; SCHEMBL1306499; BDBM50297444
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): 0 Molecular Weight (mw) 375.5
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H25N3O2
IUPAC Name
N-hydroxy-7,7-bis(1H-indol-3-yl)heptanamide
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C(CCCCCC(=O)NO)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
InChIKey
ZWBFOQJCRGCPED-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11993691
TTD ID
D05OVV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 6 (HDAC6) TT5ZKDI HDAC6_HUMAN 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
Histone deacetylase 6 (HDAC6) DTT HDAC6 6.91E-02 0.27 0.79
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Exploring bis-(indolyl)methane moiety as an alternative and innovative CAP group in the design of histone deacetylase (HDAC) inhibitors. Bioorg Med Chem Lett. 2009 May 15;19(10):2840-3.