Bioactive Compound Details

BioIDbio3311
NamePRASUGREL
ChEMBL IDCHEMBL1201772
Molecular FormulaC20H20FNO3S
Molecular Weight373.45
Molecular Weight (Monoisotopic)373.1148
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEFIENT|LY-640315|NSC-759625|PRASUGREL
SmilesCC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
InchiInChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
Inchi KeyDTGLZDAWLRGWQN-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets41.0
Bioactivities88.0
Np Likeness Score-0.92
Records Key['2', 'SID124899264', 'Prasugrel', 'SID174006898', 'Prasugrel', 'prasugrel', 'prasugrel', 'Prasugrel', 'PRASUGREL', 'CS-747, LY640315, Prasugrel', 'Prasugrel', 'PRASUGREL', 'Prasugrel', 'prasugrel', 'Prasugrel', 'Prasugrel', 'PRASUGREL', 'PRASUGREL', 'COVC-1745762303', 'Prasugrel', 'prasugrel', 'Prasugrel', 'Prasugrel', '12']
Records Name['Prasugrel', 'SID124899264', 'Prasugrel', 'SID174006898', 'Prasugrel', 'prasugrel', 'prasugrel', 'Prasugrel', 'PRASUGREL', '2-acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine', 'Prasugrel', 'PRASUGREL', 'Prasugrel', 'prasugrel', 'Prasugrel', 'Prasugrel', 'PRASUGREL', 'PRASUGREL', 'PRASUGREL', 'Prasugrel', 'prasugrel', 'Prasugrel', 'Prasugrel', 'Prasugrel']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure