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Compound Detail

CHEMBL13341

NIMETAZEPAM
🧪 Phase II
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🧪 Phase II
CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13341
Name NIMETAZEPAM
Phase Phase II
Structure Type MOL
InChI Key GWUSZQUVEVMBPI-UHFFFAOYSA-N

Known Names

Erimin Nimetazepam S 1530 S-1530
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
16
Publications
4
Known Names

Molecular Properties

295.3
MW (Da)
2.41
ALogP
4
HBA
0
HBD
75.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -azepam

Extended Properties

Molecular Formula C16H13N3O3
MW 295.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

ATC Classification

N05CD15
nimetazepam
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 1 meas. best 6.98
Ki 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.07 7.07 85.0 1
Unchecked
CHEMBL612545
 IC50 6.98 6.98 104.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 85.0 nM 7.07 DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flun... -
Unchecked IC50 = 104.0 nM 6.98 DRUGMATRIX: GABAA, Flunitrazepam, Central radioligand binding (ligand: [3H] Flun... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 252
7381845 10.1021/jm00178a018 ADMET 5
926122 10.1021/jm00219a019 Mus musculus 4
2202830 10.1021/jm00171a037 Unchecked 3
6876077 10.1021/jm00362a003 Mus musculus 1
12873507 10.1016/s0960-894x(03)00535-3 NON-PROTEIN TARGET 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
20020916 10.1080/15376510701857262 Phospholipidosis 1
926122 10.1021/jm00219a019 Felis catus 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine