General Information of Drug (ID: DM5P1NZ)

Drug Name
PREUSSOMERIN
Synonyms CHEMBL318853; PREUSSOMERIN; BDBM50059849
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) 362.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H10O7
IUPAC Name
(1S,12R)-7-hydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,15-dione
Canonical SMILES
C1=CC2=C3C(=C1)O[C@@]45C6C(O6)C(=O)C7=C(C=CC(=C74)O[C@@]3(O5)C=CC2=O)O
InChI
InChI=1S/C20H10O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,17-18,22H/t17?,18?,19-,20+/m1/s1
InChIKey
YMTRIUFFDHMDKK-TUNPWDSISA-N
Cross-matching ID
PubChem CID
44332169
TTD ID
D05IVD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CAAX farnesyltransferase beta (FNTB) TT7WZIJ FNTB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Ras farnesyltransferase: a new therapeutic target. J Med Chem. 1997 Sep 12;40(19):2971-90.