| Entry |
|
|---|
| Name |
Timolol (USAN);
Timolol hemihydrate;
Betimol (TN) |
|---|
| Product |
|
|---|
| Formula |
(C13H24N4O3S)2. H2O
|
|---|
| Exact mass |
650.3244
|
|---|
| Mol weight |
650.8546
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG00306): | D00378<US> D00603<JP/US> |
|
|---|
| Efficacy |
Antiglaucoma, beta-Adrenergic receptor antagonist |
|---|
| Disease |
Open-angle glaucoma [DS: H00612] |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AA Beta blocking agents, non-selective
C07AA06 Timolol
D00378 Timolol (USAN) <US>
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01ED Beta blocking agents
S01ED01 Timolol
D00378 Timolol (USAN) <US>
USP drug classification [BR:br08302]
Cardiovascular Agents
Beta-adrenergic Blocking Agents
Non-Selective
Timolol
D00378 Timolol (USAN)
Ophthalmic Agents
Intraocular Pressure Lowering Agents
Beta-adrenergic Blocking Agents, Ophthalmic
Timolol
D00378 Timolol (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00306 Timolol
D00378 Timolol
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
DG00306 Timolol
D00378 Timolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00306 Timolol
D00378 Timolol
Drug classes [BR:br08332]
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
D00378 Timolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D00378 Timolol (USAN) <US>
ADRB2
D00378 Timolol (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00378
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00306 Timolol
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
DG00306 Timolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00306 Timolol
|
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| Other DBs |
|
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| KCF data |
ATOM 43
1 O0 O 28.1400 -21.7700
2 C1b C 17.2200 -20.1600
3 C1c C 18.4100 -20.8600
4 O2a O 16.0300 -20.8600
5 C1b C 19.6000 -20.1600
6 N1b N 20.7900 -20.8600
7 C1d C 21.9800 -20.1600
8 C1a C 23.2400 -20.8600
9 C1a C 21.9800 -18.7600
10 C1a C 23.2400 -19.4600
11 O1a O 18.4100 -22.2600
12 C8y C 16.0300 -22.2600
13 C8y C 14.9100 -23.1700
14 N5x N 15.3300 -24.4300
15 S2x S 16.7300 -24.4300
16 N5x N 17.1500 -23.1700
17 O2x O 11.2000 -21.0000
18 C1x C 11.2000 -22.4700
19 C1x C 12.3900 -23.1700
20 N1y N 13.6500 -22.4700
21 C1x C 13.6500 -21.0000
22 C1x C 12.3900 -20.3000
23 C1b C 17.2200 -20.1600
24 C1c C 18.4100 -20.8600
25 C1b C 19.6000 -20.1600
26 N1b N 20.7900 -20.8600
27 C1d C 21.9800 -20.1600
28 C1a C 23.2400 -20.8600
29 C1a C 21.9800 -18.7600
30 C1a C 23.2400 -19.4600
31 O1a O 18.4100 -22.2600
32 O2a O 16.0300 -20.8600
33 C8y C 16.0300 -22.2600
34 C8y C 14.9100 -23.1700
35 N5x N 15.3300 -24.4300
36 S2x S 16.7300 -24.4300
37 N5x N 17.1500 -23.1700
38 N1y N 13.6500 -22.4700
39 C1x C 12.3900 -23.1700
40 C1x C 11.2000 -22.4700
41 O2x O 11.2000 -21.0000
42 C1x C 12.3900 -20.3000
43 C1x C 13.6500 -21.0000
BOND 44
1 2 3 1
2 2 4 1
3 3 5 1
4 5 6 1
5 6 7 1
6 7 8 1
7 7 9 1
8 7 10 1
9 3 11 1 #Down
10 4 12 1
11 12 13 1
12 13 14 2
13 14 15 1
14 15 16 1
15 12 16 2
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 21 22 1
21 17 22 1
22 20 13 1
23 23 24 1
24 23 32 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 27 29 1
30 27 30 1
31 24 31 1 #Down
32 32 33 1
33 33 34 1
34 34 35 2
35 35 36 1
36 36 37 1
37 33 37 2
38 41 40 1
39 40 39 1
40 39 38 1
41 38 43 1
42 43 42 1
43 41 42 1
44 38 34 1
BRACKET 1 10.5000 -25.2000 10.5000 -17.1500
1 25.0600 -17.1500 25.0600 -25.2000
1 2
ORIGINAL 1 2 3 5 6 7 8 9 10 11 4 12 13 14 15 16 20
1 19 18 17 22 21
REPEAT 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42 43
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