Details of the Drug

General Information of Drug (ID: DMRH987)

Drug Name
N-(4-(3-(pyridin-2-yl)acryloyl)phenyl)acetamide
Synonyms AC1O17NE; CHEMBL425789
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) 266.29
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H14N2O2
IUPAC Name
N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]acetamide
Canonical SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=N2
InChI
InChI=1S/C16H14N2O2/c1-12(19)18-15-7-5-13(6-8-15)16(20)10-9-14-4-2-3-11-17-14/h2-11H,1H3,(H,18,19)/b10-9+
InChIKey
LAXKVXCZXLEVKG-MDZDMXLPSA-N
Cross-matching ID
PubChem CID
6114166
TTD ID
D0VH8A

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]
Tubulin beta-2 chain (TUBB2) TTJ2PTI TBB2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and biological evaluation of novel tubulin inhibitors as antimitotic agents using a pharmacophore binding model with tubulin. J Med Chem. 2006 Sep 21;49(19):5664-70.