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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL127
CHEMBL127
Compound Name MEROPENEM
ChEMBL Synonyms MEROPENEM | SM-7338 | ICI 194,660 | MERREM | Merrem i.v.
Max Phase 4 (Approved)
Trade Names MERREM | Merrem i.v. | MEROPENEM
Molecular Formula C17H25N3O5S

Additional synonyms for CHEMBL127 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)S[C@@H]3C ...
Download SMILES
Standard InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24) ...
Download InChI
Standard InChI Key DMJNNHOOLUXYBV-PQTSNVLCSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL127

Molecule Features

CHEMBL127 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SepsisD018805HP:0100806sepsis3ClinicalTrials
MeningitisD008581EFO:0000584infectious meningitis1ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis2ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis2ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
Shock, SepticD012772EFO:0006834septic shock3ClinicalTrials
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis2ClinicalTrials
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection4ClinicalTrials
FDA
InfectionD007239EFO:0000544infection3ClinicalTrials
Neonatal SepsisD000071074HP:0040187Neonatal sepsis3ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials

Clinical Data

ClinicalTrials.gov MEROPENEM
The Cochrane Collaboration MEROPENEM

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 CHEMBL127. 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 1.000
CHEMBL5582 Hormone-sensitive lipase Rattus norvegicus 0.988
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.405
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.393
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.266

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL5582 Hormone-sensitive lipase Rattus norvegicus 0.996
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.995
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.532
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.413
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.407
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.310
CHEMBL237 Kappa opioid receptor Homo sapiens 0.308

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
383.5 383.1515 -0.31 5 110.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.27 8.31 -1.23 -3.83 0 26 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL127. 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
J01DH02 - meropenem

ChemSpider ChemSpider:DMJNNHOOLUXYBV-PQTSNVLCSA-N
DailyMed meropenem
PubChem SID: 144204266 SID: 170464676 SID: 170466350 SID: 49681817
Wikipedia Meropenem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL127



ACToR 96036-03-2
BindingDB 50129062
Brenda 917
ChEBI 43968
ChemicalBook CB7459533 CB0190233
DrugBank DB00760
DrugCentral 1709
eMolecules 29780974 31526867
EPA CompTox Dashboard DTXSID7045526
FDA SRS YOP6PX0BAO
Human Metabolome Database HMDB0014898
IBM Patent System BB8DE83A007AF8EC1DC44F007990D84F
LINCS LSM-5208
MolPort MolPort-006-709-417
NIH Clinical Collection SAM001246650
Nikkaji J327.339C
PDBe MEM
PubChem 441130 40466974
PubChem: Drugs of the Future 12014124
PubChem: Thomson Pharma 14780292 14902620
SureChEMBL SCHEMBL34442
ZINC ZINC000003808779

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