| Entry |
|
|---|
| Name |
Rilmazafone (INN) |
|---|
| Formula |
C21H20Cl2N6O3
|
|---|
| Exact mass |
474.0974
|
|---|
| Mol weight |
475.3279
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01835 Benzodiazepine sedative-hypnotics
DG03202 Hypnotic
DG01567 GABA-A receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02970 CES substrate
|
|---|
| Remark |
| Product (DG01307): | D01564<JP> |
|
|---|
| Efficacy |
Hypnotic |
|---|
| Comment |
Benzodiazepines
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07230 | GABA-A receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01835 Benzodiazepine sedative-hypnotics
DG01307 Rilmazafone
D08481 Rilmazafone
DG03202 Hypnotic
DG01307 Rilmazafone
D08481 Rilmazafone
DG01567 GABA-A receptor agonist
DG01307 Rilmazafone
D08481 Rilmazafone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01307 Rilmazafone
D08481 Rilmazafone
DG02970 CES substrate
DG01307 Rilmazafone
D08481 Rilmazafone
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D08481 Rilmazafone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08481
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01835 Benzodiazepine sedative-hypnotics
DG01307 Rilmazafone
DG03202 Hypnotic
DG01307 Rilmazafone
DG01567 GABA-A receptor agonist
DG01307 Rilmazafone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01307 Rilmazafone
DG02970 CES substrate
DG01307 Rilmazafone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 N4y N 24.7800 -18.4100
2 C8y C 23.5900 -19.2500
3 N5x N 24.0100 -20.5800
4 C8y C 25.4100 -20.5800
5 N5x N 25.9000 -19.2500
6 C8y C 24.7800 -17.0100
7 C8y C 25.9700 -16.3100
8 C8x C 25.9700 -14.9100
9 C8y C 24.7800 -14.2100
10 C8x C 23.5200 -14.9100
11 C8x C 23.5200 -16.3100
12 C1b C 22.4000 -18.5500
13 C5a C 26.2500 -21.7000
14 O5a O 25.6900 -23.0300
15 C1a C 28.4900 -22.8900
16 N1c N 27.6500 -21.7000
17 C1a C 28.2100 -20.4400
18 X Cl 24.7800 -12.8100
19 C5a C 27.1600 -17.0100
20 O5a O 27.1600 -18.4100
21 C8y C 28.3500 -16.3800
22 C8x C 29.6100 -17.0800
23 C8x C 30.8000 -16.3800
24 C8x C 30.8000 -14.9800
25 C8x C 29.6100 -14.2800
26 C8y C 28.3500 -14.9800
27 N1b N 21.2100 -19.3200
28 C5a C 19.9500 -18.6200
29 O5a O 19.9500 -17.2200
30 C1b C 18.7600 -19.3900
31 N1a N 17.5700 -18.6900
32 X Cl 27.1600 -14.2800
BOND 34
1 4 13 1
2 1 6 1
3 16 17 1
4 9 18 1
5 7 19 1
6 19 20 2
7 2 3 2
8 19 21 1
9 1 2 1
10 3 4 1
11 4 5 2
12 5 1 1
13 2 12 1
14 21 22 2
15 22 23 1
16 23 24 2
17 24 25 1
18 25 26 2
19 26 21 1
20 6 7 2
21 12 27 1
22 7 8 1
23 27 28 1
24 8 9 2
25 28 29 2
26 9 10 1
27 28 30 1
28 10 11 2
29 30 31 1
30 11 6 1
31 26 32 1
32 13 14 2
33 15 16 1
34 16 13 1
|
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