Details of the Drug

General Information of Drug (ID: DM9FYPM)

Drug Name
ST-5732
Synonyms ST-5732; CHEMBL561604; BDBM50297446
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) 465.5
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H23N5O6
IUPAC Name
N-hydroxy-7,7-bis(5-nitro-1H-indol-3-yl)heptanamide
Canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(CCCCCC(=O)NO)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)
InChIKey
VSVDNXSUROYWOP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45269423
TTD ID
D0K7QR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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.