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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70088
CHEMBL70088
Compound Name RITIPENEM
ChEMBL Synonyms Ritipenem
Max Phase 0
Trade Names
Molecular Formula C10H12N2O6S

Additional synonyms for CHEMBL70088 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(=O)O)COC(=O)N
Standard InChI InChI=1S/C10H12N2O6S/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12 ...
Download InChI
Standard InChI Key IKQNRQOUOZJHTR-UWBRJAPDSA-N

Molecule Features

CHEMBL70088 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 4 structural alerts for CHEMBL70088. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL70088

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 CHEMBL70088. 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
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.998
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.242

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 1.000
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL248 Leukocyte elastase Homo sapiens 0.249

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.3 288.0416 -1.05 5 155.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.93 - -1.44 -4.7 0 19 0.55

Compound Cross References

ChemSpider ChemSpider:IKQNRQOUOZJHTR-UWBRJAPDSA-N
Wikipedia Ritipenem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70088



ACToR 84845-57-8
FDA SRS D4SL77931L
IBM Patent System 1474B46C0D634D5E666DD3D3BBC2DC91
Nikkaji J554.937J
PubChem 65633
PubChem: Thomson Pharma 14751210
SureChEMBL SCHEMBL155886

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