ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285347
CHEMBL285347
Compound Name BIAPENEM
ChEMBL Synonyms BIAPENEM | CL 186,815 | LJ C10,627 | L-627
Max Phase 1
Trade Names
Molecular Formula C15H18N4O4S

Additional synonyms for CHEMBL285347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)[O-])SC3C[n ...
Download SMILES
Standard InChI InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22) ...
Download InChI
Standard InChI Key MRMBZHPJVKCOMA-YJFSRANCSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL285347

Molecule Features

CHEMBL285347 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov BIAPENEM
The Cochrane Collaboration BIAPENEM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL285347. 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
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.998

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.990
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.450

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
350.4 350.1049 -1.89 4 102.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.25 - -6.14 -5.54 1 24 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL285347. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01D - OTHER BETA-LACTAM ANTIBACTERIALS
J01DH - Carbapenems
J01DH05 - biapenem

ChemSpider ChemSpider:MRMBZHPJVKCOMA-YJFSRANCSA-N
PubChem SID: 144205733
Wikipedia Biapenem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285347



ACToR 120410-24-4
Brenda 1700
ChEBI 3089
ChemicalBook CB0219286
DrugBank DB13028
DrugCentral 365
eMolecules 2728690 30513151 30152111
EPA CompTox Dashboard DTXSID5046435
FDA SRS YR5U3L9ZH1
KEGG Ligand C11268
MolPort MolPort-003-983-926
Nikkaji J550.678F
PubChem 71339
PubChem: Drugs of the Future 12014327
PubChem: Thomson Pharma 14754207
SureChEMBL SCHEMBL49242

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