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Compound Detail

CHEMBL13209

NITRAZEPAM
🧪 Phase III
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🧪 Phase III
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1

Basic Information

ChEMBL ID CHEMBL13209
Name NITRAZEPAM
Phase Phase III
Structure Type MOL
InChI Key KJONHKAYOJNZEC-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Benzalin Mogadon N05CD02 Nitrados Nitrazepam Nitrazepamum NSC-58775 Remnos RO 4-5360 RO 5-3059 RO-4-5360 RO-45360 +4 more
2
Targets
5
Activities
2
Assay Types
10
PK Parameters
20
Publications
16
Known Names
6
Indications

Molecular Properties

281.3
MW (Da)
2.38
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -azepam
USAN Year 1966

Extended Properties

Molecular Formula C15H11N3O3
MW 281.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.73

Indications

Anxiety Dementia Depressive Disorder Schizophrenia Sleep Wake Disorders Epilepsy

ATC Classification

N05CD02
nitrazepam
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 4 meas. best 7.42
Ki 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
IC50 7.42 7.42 38.0 1
Unchecked
CHEMBL612545
Ki 7.35 7.35 44.6 1
Unchecked
CHEMBL612545
IC50 7.26 7.26 54.7 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.86 mL.min-1.kg-1 Homo sapiens
CL 0.86 mL.min-1.kg-1 Homo sapiens
CL 0.9 mL.min-1.kg-1 Homo sapiens
CL 0.86 mL.min-1.kg-1 Homo sapiens
F 79.0 % Homo sapiens
F 78.0 % Homo sapiens
Fu 0.13 - Homo sapiens
Fu 0.13 - Homo sapiens
MRT 33.0 hr Homo sapiens
T1/2 26.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
20070106 10.1021/jm901371v Homo sapiens 8
874970 10.1021/jm00217a019 Mus musculus 7
7381845 10.1021/jm00178a018 ADMET 5
18426954 10.1124/dmd.108.020479 ADMET 4
926122 10.1021/jm00219a019 Mus musculus 4
31995375 10.1021/acs.jmedchem.0c00046 Albumin 4
2202830 10.1021/jm00171a037 Unchecked 3
20014752 10.1021/tx900326k Hepatotoxicity 3
7359533 10.1021/jm00176a016 Rattus norvegicus 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
10891117 10.1021/jm0000564 ADMET 2
10891117 10.1021/jm0000564 No relevant target 2
12438524 10.1124/jpet.102.039255 ATP-dependent translocase ABCB1 2
19445515 10.1021/jm900403j Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
22917519 10.1016/j.bmcl.2012.07.091 Lysine-specific demethylase 4C 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine