| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 21 | No |
1, 3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
146-22-5; Benzalin (TN); D00531; Nitrazepam (JP16/USAN/INN); Nitrazepam (TN)
2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-on
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-
5-24-04-00344 (Beilstein Handbook Reference)
7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
7-Nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Alphapharma Brand of Nitrazepam
CPD000058302; Nitrazepam; SAM001246711
CPD000058302; SAM001246711; nitrazepam
ct-Arzneimittel Brand of Nitrazepam
neuraxpharm Brand of Nitrazepam
Rhoxalpharma Brand of Nitrazepam
United Drug Brand of Nitrazepam
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.14 | 5.47 | -10.2 | 1 | 6 | 0 | 87 | 281.271 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 6.34 | -38.29 | 2 | 6 | 1 | 89 | 282.279 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Anticonvulsant | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 2.99e-02 g/l | DrugBank-approved |
| biological_use | Anticonvulsant | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Benzodiazepine receptor agonist | IBScreen Bioactives |
| biological_use | Hypnotic | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03417n; NCC_CONTROLLED_SUBSTANCE : DEA SCHEDULE 4 | NIH Clinical Collection via PubChem |
| biological_use | Nitrazepam is a sedative used to treat insomnia | IBScreen Bioactives |
| biological_use | Nitrazepam is in the group of drugs known as benzodiazepines, a class of antidepressants, anti-panic agents, and muscle relaxants | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03417n | NIH Clinical Collection via PubChem |
| biological_use | Tranquilliser | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| GBRA4-1-E | GABA Receptor Alpha-4 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| GBRB1-1-E | GABA Receptor Beta-1 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| GBRG2-1-E | GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 38 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 38 | 0.49 | Binding ≤ 1μM |
| GBRA1_BOVIN | P08219 | GABA Receptor Alpha-1 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| GBRA2_BOVIN | P10063 | GABA Receptor Alpha-2 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| GBRA3_BOVIN | P10064 | GABA Receptor Alpha-3 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| GBRA4_BOVIN | P20237 | GABA Receptor Alpha-4 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| GBRB1_BOVIN | P08220 | GABA Receptor Beta-1 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| GBRG2_BOVIN | P22300 | GABA Receptor Gamma-2 Subunit, Bovin | 38 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
