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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL13341
CHEMBL13341
Compound Name NIMETAZEPAM
ChEMBL Synonyms S 1530 | NIMETAZEPAM
Max Phase 0
Trade Names
Molecular Formula C16H13N3O3

Additional synonyms for CHEMBL13341 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-]
Standard InChI InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-1 ...
Download InChI
Standard InChI Key GWUSZQUVEVMBPI-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL13341

Molecule Features

CHEMBL13341 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 NIMETAZEPAM
The Cochrane Collaboration NIMETAZEPAM

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 CHEMBL13341. 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
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.999
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.969
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.966
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.958
CHEMBL4102 Cyclooxygenase-2 Ovis aries 0.945
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.923
CHEMBL5514 Huntingtin Homo sapiens 0.919
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.900
CHEMBL2392 DNA polymerase beta Homo sapiens 0.896
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.884
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.867
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.757
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.712
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.669
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.648
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.609
CHEMBL3198 Acetylcholinesterase Mus musculus 0.568
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.517
CHEMBL2498 PI3-kinase p110-alpha subunit Bos taurus 0.511



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.999
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.998
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.989
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.975
CHEMBL4143 Calpain 2 Sus scrofa 0.937
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.933
CHEMBL5514 Huntingtin Homo sapiens 0.914
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.876
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.792
CHEMBL4796 Beta-chymotrypsin Homo sapiens 0.680
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.663
CHEMBL2830 Voltage-gated L-type calcium channel alpha-1C subunit Oryctolagus cuniculus 0.631
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.626
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.605
CHEMBL4102 Cyclooxygenase-2 Ovis aries 0.546
CHEMBL5905 Aldo-keto reductase family 1 member C1 Homo sapiens 0.545
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.401
CHEMBL2007628 Tyrosine-protein phosphatase non-receptor type 5 Homo sapiens 0.398
CHEMBL2392 DNA polymerase beta Homo sapiens 0.389
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.381

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
295.3 295.0957 2.41 2 75.81 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.19 2.31 2.31 2 22 0.63

Structural Alerts

There are 5 structural alerts for CHEMBL13341. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GWUSZQUVEVMBPI-UHFFFAOYSA-N
PubChem SID: 144205758 SID: 170465912 SID: 26719705 SID: 26757999
Wikipedia Nimetazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL13341



ACToR 2011-67-8
ChEBI 31912
DrugCentral 1936
eMolecules 3716118
EPA CompTox Dashboard DTXSID6023369
FDA SRS 4532264KW6
IBM Patent System 9A3ADAA629C2501378E685F3B1383383
LINCS LSM-5785
NIH Clinical Collection SAM001246755
PubChem 4496
PubChem: Thomson Pharma 14873530
SureChEMBL SCHEMBL79886
ZINC ZINC000003831205

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