Details of the Drug

General Information of Drug (ID: DMSFQHO)

Drug Name
ON-24160
Synonyms Beta tubulin depolymerizer (cancer), Onconova; Beta-tubulin polymerization inhibitors (cancer), Onconova; ON-24 series (cancer), Onconova
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C18H22N2O6S
IUPAC Name
(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
Canonical SMILES
COC1=C(C=C(C=C1)NS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)N
InChI
InChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+
InChIKey
OLRRWEXEHIWZJV-BQYQJAHWSA-N
Cross-matching ID
PubChem CID
10309597
TTD ID
D04EPS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2640).