| Entry |
|
|---|
| Name |
Timolol (INN);
Timolol (TN);
Betimol (TN) |
|---|
| Formula |
C13H24N4O3S
|
|---|
| Exact mass |
316.1569
|
|---|
| Mol weight |
316.4197
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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 rceptor antagonist |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| 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
D08600 Timolol (INN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01ED Beta blocking agents
S01ED01 Timolol
D08600 Timolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00306 Timolol
D08600 Timolol
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
DG00306 Timolol
D08600 Timolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00306 Timolol
D08600 Timolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D08600 Timolol (INN)
ADRB2
D08600 Timolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08600
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 |
|
|---|
| LinkDB |
|
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| KCF data |
ATOM 21
1 C1b C 15.6800 -18.8300
2 C1c C 16.8700 -19.5300
3 O2a O 14.4900 -19.5300
4 C1b C 18.0600 -18.8300
5 N1b N 19.2500 -19.5300
6 C1d C 20.4400 -18.8300
7 C1a C 21.6300 -19.5300
8 C1a C 20.4400 -17.4300
9 C1a C 21.6300 -18.1300
10 O1a O 16.8700 -20.9300
11 C8y C 14.4900 -20.9300
12 C8y C 13.3700 -21.7700
13 N5x N 13.7900 -23.0300
14 S2x S 15.1900 -23.0300
15 N5x N 15.6100 -21.7700
16 O2x O 9.7300 -19.6700
17 C1x C 9.7300 -21.0700
18 C1x C 10.9200 -21.7700
19 N1y N 12.1800 -21.0700
20 C1x C 12.1800 -19.6700
21 C1x C 10.9200 -18.9700
BOND 22
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 1
8 6 9 1
9 2 10 1 #Down
10 3 11 1
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 1
15 11 15 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 16 21 1
22 19 12 1
|
|---|
