Bioactive Compound Details

BioIDbio3158
NameCEFOZOPRAN
ChEMBL IDCHEMBL1276663
Molecular FormulaC19H17N9O5S2
Molecular Weight515.54
Molecular Weight (Monoisotopic)515.0794
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCEFOZOPRAN|CEFOZOPRAN HYDROCHLORIDE
SmilesCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1
InchiInChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
Inchi KeyQDUIJCOKQCCXQY-WHJQOFBOSA-N
Molecular SpeciesACID
Targets70.0
Bioactivities141.0
Np Likeness Score-0.53
Records Key['Cefozopran', 'CEFOZOPRAN', 'Cefozopran', 'Cefozopuran', 'CEFOZOPRAN', 'Cefozopran (hydrochloride)', 'CEFOZOPRAN', 'CZOP', 'Cefozopran', 'CEFOZOPRAN (HYDROCHLORIDE)', 'Cefozopran (hydrochloride)', 'Cefozopran (hydrochloride)', '65', 'cefozopran']
Records Name['Cefozopran', 'CEFOZOPRAN', 'Cefozopran', 'Cefozopuran', 'CEFOZOPRAN', 'Cefozopran (hydrochloride)', 'CEFOZOPRAN', 'cefozopran', 'Cefozopran', 'CEFOZOPRAN (HYDROCHLORIDE)', 'Cefozopran (hydrochloride)', 'Cefozopran (hydrochloride)', 'Cefozopran', 'cefozopran']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure