ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200651
CHEMBL1200651
Compound Name PENICILLIN G BENZATHINE
ChEMBL Synonyms BICILLIN L-A | E708 | BICILLIN
Max Phase 0
Trade Names
Molecular Formula C32H38N4O4S

Additional synonyms for CHEMBL1200651 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.C(CN ...
Download SMILES
Standard InChI InChI=1S/C16H18N2O4S.C16H20N2/c1-16(2)12(15(21)22)18-13(20)1 ...
Download InChI
Standard InChI Key JTFXYBGKLCCFSP-LQDWTQKMSA-N

Sources

  • Curated Drug Metabolism Pathways
  • HeCaToS Compounds

Alternate Forms of Compound in ChEMBL


CHEMBL1200651

Metabolites for CHEMBL1200651

Open in full screen

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200651. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.288

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
334.4 334.0987 0.86 4 86.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.45 - 1.92 -1.81 1 23 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL1200651. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JTFXYBGKLCCFSP-LQDWTQKMSA-N
Wikipedia Benzathine_benzylpenicillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200651



PubChem 9985566
PubChem: Thomson Pharma 14963592

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JTFXYBGKLCCFSP-LQDWTQKMSA-N spacer
spacer