General Information of Drug (ID: DM90U5P)

Drug Name
N-{4'-[(trifluoromethyl)sulfonyl]-4-biphenyl}urea
Synonyms CHEMBL389588; SCHEMBL5434550; BDBM50220177
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) 344.31
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H11F3N2O3S
IUPAC Name
[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]urea
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)NC(=O)N
InChI
InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(21,22)12-7-3-10(4-8-12)9-1-5-11(6-2-9)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKey
ISQOEHFLTNIEGX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11695867
TTD ID
D05MQU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Kinesin spindle messenger RNA (KIF11 mRNA) TTBGTCW KIF11_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel ATP-competitive kinesin spindle protein inhibitors. J Med Chem. 2007 Oct 4;50(20):4939-52.