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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107448
CHEMBL2107448
Compound Name LOPRAZOLAM
ChEMBL Synonyms LOPRAZOLAM
Max Phase 0
Trade Names
Molecular Formula C23H21ClN6O3

Additional synonyms for CHEMBL2107448 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)\C=C\2/N=C3CN=C(c4ccccc4Cl)c5cc(ccc5N3C2=O)[N+](= ...
Download SMILES
Standard InChI InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-2 ...
Download InChI
Standard InChI Key UTEFBSAVJNEPTR-RGEXLXHISA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2107448

Molecule Features

CHEMBL2107448 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov LOPRAZOLAM
The Cochrane Collaboration LOPRAZOLAM

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 CHEMBL2107448. 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
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 1.000
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.999
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.998
CHEMBL5514 Huntingtin Homo sapiens 0.992
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.960
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.943
CHEMBL2392 DNA polymerase beta Homo sapiens 0.943
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.920
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.912
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.888
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.876
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.851
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.785
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.778
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.757
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.728
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.657
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.584
CHEMBL3198 Acetylcholinesterase Mus musculus 0.523
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.506



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5804 Toll-like receptor 9 Homo sapiens 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 1.000
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL5514 Huntingtin Homo sapiens 0.998
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.987
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.983
CHEMBL4143 Calpain 2 Sus scrofa 0.981
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.919
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.878
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.870
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.841
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.818
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.803
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.782
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.754
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.705
CHEMBL1293266 Nucleotide-binding oligomerization domain-containing protein 2 Homo sapiens 0.635
CHEMBL6044 Bcl-2-related protein A1 Homo sapiens 0.557
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.467
CHEMBL2007628 Tyrosine-protein phosphatase non-receptor type 5 Homo sapiens 0.446

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
464.9 464.1364 2.93 3 94.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 9 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.79 .6 .51 2 33 0.4

Structural Alerts

There are 7 structural alerts for CHEMBL2107448. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CD - Benzodiazepine derivatives
N05CD11 - loprazolam

ChemSpider ChemSpider:UTEFBSAVJNEPTR-RGEXLXHISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107448



ACToR 61197-73-7
ChEBI 135754
DrugBank DB13643
DrugCentral 1602
FDA SRS 759N8462G8
PubChem 3033860
PubChem: Thomson Pharma 15257267
SureChEMBL SCHEMBL153761
ZINC ZINC000022010289

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