Common name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
IUPAC name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
SMILES
Clc1cc2c(cc1)N(C(=O)CN=C2)C
Common name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
IUPAC name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
SMILES
Clc1cc2c(cc1)N(C(=O)CN=C2)C
INCHI
InChI=1S/C10H9ClN2O/c1-13-9-3-2-8(11)4-7(9)5-12-6-10(13)14/h2-5H,6H2,1H3
FORMULA
C10H9ClN2O
Common name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
IUPAC name
7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one
Molecular weight
208.644
clogP
2.587
clogS
-2.822
Frequency
0.0021
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
32.67
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00555 | Flurazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Psycholeptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For short-term and intermittent use in patients with recurring insomnia and poor sleeping habits. |
| FDBD00663 | Halazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Benzodiazepines; Neuromuscular Agents; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; | Used to relieve anxiety, nervousness, and tension associated with anxiety disorders. |
| FDBD00691 | Diazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Anticonvulsants; Anesthetics, Intravenous; Adjuvants, Anesthesia; GABA Modulators; Muscle Relaxants, Central; Antiemetics; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome. |
| FDBD01217 | Camazepam |
|
Hypnotics and Sedatives; Benzodiazepines; Neuromuscular Agents; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; | Camazepam has been used in placebo controlled studies for the treatment of patients suffering from anxiety and depression. |
| FDBD01228 | Fludiazepam |
|
Benzodiazepines; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; | Used for the short-term treatment of anxiety disorders. |
| FDBD01239 | Prazepam |
|
Anti-Anxiety Agents; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; CYP3A4 Inhibitors; | For the treatment of anxiety disorders. |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w12_ligand_1_1.mol2 | 1w12 | 0.892562 | -5.71 | C1C(=O)N(c2c(C=N1)cccc2)C | 13 |
| 1w12_ligand_frag_1.mol2 | 1w12 | 0.892562 | -5.62 | C1C(=O)Nc2c(C=N1)cccc2 | 12 |
| 1w12_ligand.mol2 | 1w12 | 0.497738 | -9.03 | N([C@@H]1C(=O)N(CC(=O)N[C@H](C=O)CCC[NH+]=C(N)N)c2c(C(=N1)c1ccccc1)cccc2)S(=O)(=O)Cc1ccccc1 | 44 |
| 3asx_ligand_4_19.mol2 | 3asx | 0.409091 | -6.66 | N(C(=O)CC)c1ccc(Cl)cc1CO | 14 |
| 3asx_ligand_4_1.mol2 | 3asx | 0.403101 | -6.69 | N(C(=O)C)(c1ccc(Cl)cc1CO)C | 14 |
| 3asx_ligand_3_7.mol2 | 3asx | 0.403101 | -6.60 | N(C(=O)C)c1ccc(Cl)cc1CO | 13 |
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.379032 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
| 3gk2_ligand_2_0.mol2 | 3gk2 | 0.379032 | -6.16 | C1C[NH+](CCN1c1ccccc1C=N)C | 15 |
| 4fsl_ligand_2_4.mol2 | 4fsl | 0.377953 | -7.75 | Cc1cc(c(NC(=O)C)c(c1)Cl)C | 13 |
| 5c7c_ligand.mol2 | 5c7c | 0.375 | -8.61 | C[C@@H]1C[N@H+](CC(=O)N2c3c(C(C)(C)C2)ccc(Cl)c3)CC[NH2+]1 | 23 |
100 ,
11
