Bioactive Compound Details

BioIDbio200572
NameBENZYLPENICILLIN
ChEMBL IDCHEMBL29
Molecular FormulaC16H18N2O4S
Molecular Weight334.4
Molecular Weight (Monoisotopic)334.0987
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsBENCILPENICILINA|BENZYL PENICILLIN|BENZYLPENICILLIN|BENZYLPENICILLIN |BENZYLPENICILLINE|Benzylpenicillin|Bicillin|CRYSTAPEN G|J01CE01|NSC-193396|PENICILLIN G|Penicillin G|Penicillin-2|Permapen|Pfizerpen-AS
SmilesCC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
InchiInChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Inchi KeyJGSARLDLIJGVTE-MBNYWOFBSA-N
Molecular SpeciesACID
Targets371.0
Bioactivities3982.0
Np Likeness Score0.34
Records Key['Penicillin G', 'Benzylpenicillin', 'BenzylPenicillin', 'Penicillin G (Benzylpenicillin)', 'Penicillin', 'Penicillin', 'Penicillin G', 'Penicillin-G', 'Benzylpenicillin', 'Benzylpenicillin', 'Penicillin-G', 'Penicillin', 'Penicillin', 'Benzyl penicillin', '14C-Benzylpenicillin', 'Penicillin', '2', 'Penicillin G', 'Benzylpenicillin', 'Pencicillin G', 'penicillin G', 'Pen.G', 'Penicillin', 'Penicillin G', 'Penicillin', 'Benzylpenicillin', 'penicillin G', 'PEN', 'Benzylpenicillin', 'penicillin', 'Penicillin', 'PEN', 'Penicillin G (Benzylpenicillin)', 'Penicillin G (Benzylpenicillin)', 'Pen-G', 'benzylpenicillin', 'Penicillin G', 'Benzylpenicillin', 'penicillin G', 'Penicillin G', '170', 'penicillin', 'Penicillin', 'Penicillin G', 'Penicillin', '16', 'Penicillin G (Benzylpenicillin)', 'Benzylpenicillin', 'Penicillin G', 'PCG', 'benzylpenicillin', 'Penicillin', '104(Benzylpenicillin)', 'penicillin g', 'penicillin', 'Penicillin G', 'Penicillin G', 'Penicillin', 'Penicillin G', 'PEN', 'Penicillin', 'Penicillin G', 'PEN', 'Penicillin G', 'Penicillin', 'Penicillin', 'penicillin G', 'penicillin', 'Penicillin G', 'Penicillin', 'penicillin G', 'penicillin G', 'Pen-G', 'pen G', 'penicillin G', 'Penicillin G', 'benzyl penicillin', 'benzylpenicillin', 'Benzylpenicillin', 'penicillin G', 'Pen G', '11', 'P10', 'penicillin G', 'Penicillin G', 'penicillin G', 'penicillin G', 'PEN', 'Penicillin G (Pen G)', 'SID49647119', 'Penicillin', 'penicillin G', 'penicillin G', 'Bezylpenicillin', 'Penicillin G', 'PEN', 'penicillin G', 'Penicillin G', 'pencillin G', 'penicillin G', 'penicillin G', 'Penicilin G', 'penicillin G', 'penicillin G', 'benzylpenicillin', 'A', 'penicillin G', 'PEN', 'benzylpenicillin', 'PEN', 'Penicillin', 'penicillin', 'Penicillin', 'penicillin G', 'Penicillin G', 'Penicillin G', 'Penicilin G', 'Penicillin G', 'Penicillin G', 'Benzylpenicillin', 'benzylpenicillin', 'Penicillin G', 'Penicillin G', 'Benzylpeniciilin', 'PEN', 'Penicillin G 30 micromolar', 'PENICILLIN G', 'Penicillin G', 'Penicillin G (Benzylpenicillin)', 'Penicillin G (Benzylpenicillin)', 'penicillin G', 'benzylpenicillin', 'Penicillin', 'Penicillin G', 'Penicillin G', 'Penicillin', 'Penicillin', 'PEN', 'penicillin', 'Benzylpenicillin', 'Penicillin G (Benzylpenicillin)', 'Penicillin', 'PEN', 'Penicillin G (Benzylpenicillin)', 'Penicillin', 'Penicilin', 'Benzylpenicillin', 'PEN', 'Penicillin G', 'Penicillin-G', 'Penicillin', 'Penicillin', 'Penicillin G', 'penicillin G', 'Pen', 'Penicilin', 'Penicillin G', 'PEN', 'Penicillin', 'Penicillin', 'Penicillin', 'Pe
Records Name['(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', '(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'Penicillin G (Benzylpenicillin)', 'Penicillin', 'Penicillin', 'Penicillin G', 'Penicillin-G', '(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', '(2S,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion', 'Penicillin-G', 'Penicillin', 'Penicillin', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', '[14C]-Benzylpenicillin', '(R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'Penicillin G', 'Benzylpenicillin', 'Pencicillin G', 'penicillin G', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (penicillin G)', 'Penicillin', 'Penicillin G', 'Penicillin', 'Benzylpenicillin', 'penicillin G', 'Penicillin G', 'Benzylpenicillin', 'penicillin', 'Penicillin', 'Penicillin', 'Penicillin G (Benzylpenicillin)', 'Penicillin G (Benzylpenicillin)', 'Penicillin G', 'benzylpenicillin', 'Penicillin G', 'Benzylpenicillin', '(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'Penicillin G', 'penicillin G', 'penicillin', 'Penicillin', 'Penicillin G', 'Penicillin', 'Penicillin G', 'Penicillin G (Benzylpenicillin)', 'Benzylpenicillin', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'Benzylpenicillin', '(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'Penicillin', '(2S,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid', 'penicillin g', 'Penicillin', 'Penicillin G', 'Penicillin G', 'Penicillin', 'Penicillin G', 'penicillin G', 'Penicillin', 'Penicillin G', 'penicillin', 'Penicillin G', 'Penicillin', 'Penicillin', 'penicillin G', 'Penicillin', '3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G)', 'Penicillin', 'penicillin G', 'penicillin G', 'Penicilin G', 'pencillin G', 'penicillin G', 'Penicillin G', '(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-pheny
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure