| Entry |
|
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| Name |
Dolasetron (INN) |
|---|
| Formula |
C19H20N2O3
|
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| Exact mass |
324.1474
|
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| Mol weight |
324.37
|
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| Structure |
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| Simcomp |
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| Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01762 Antiemetic
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
|
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| Remark |
|
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| Efficacy |
Anti-emetic, Antimigraine, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
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| Pathway |
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| Metabolism |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A04 ANTIEMETICS AND ANTINAUSEANTS
A04A ANTIEMETICS AND ANTINAUSEANTS
A04AA Serotonin (5HT3) antagonists
A04AA04 Dolasetron
D07867 Dolasetron (INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG00063 Dolasetron
D07867 Dolasetron
DG01762 Antiemetic
DG00063 Dolasetron
D07867 Dolasetron
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00063 Dolasetron
D07867 Dolasetron
DG01633 CYP3A/CYP3A4 substrate
DG00063 Dolasetron
D07867 Dolasetron
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D07867 Dolasetron (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07867
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG00063 Dolasetron
DG01762 Antiemetic
DG00063 Dolasetron
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00063 Dolasetron
DG01633 CYP3A/CYP3A4 substrate
DG00063 Dolasetron
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 24
1 O7a O 24.2200 -19.5300
2 C1y C 23.2400 -18.9700
3 C7a C 25.6900 -19.5300
4 C8y C 26.3900 -18.4100
5 O6a O 26.3900 -20.7900
6 C8y C 27.7200 -18.3400
7 C8y C 28.0000 -16.9400
8 N4x N 26.8800 -16.3100
9 C8x C 25.8300 -17.1500
10 C8x C 28.6300 -19.2500
11 C8x C 29.9600 -18.8300
12 C8x C 30.2400 -17.5000
13 C8x C 29.2600 -16.5900
14 C1y C 21.1400 -18.3400
15 N1y N 21.6300 -15.7500
16 C1x C 20.3000 -18.9700
17 C1x C 22.3300 -18.3400
18 C1y C 21.6300 -17.0800
19 C1x C 20.4400 -15.0500
20 C1y C 19.2500 -17.0800
21 C1x C 20.4400 -17.7800
22 C1x C 22.8200 -17.7800
23 C5x C 19.2500 -15.7500
24 O5x O 18.0600 -15.0500
BOND 28
1 2 1 1
2 1 3 1
3 3 4 1
4 3 5 2
5 4 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 4 9 2
10 6 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 7 13 2
15 14 15 1
16 14 16 1
17 14 17 1
18 15 18 1
19 15 19 1
20 16 20 1
21 17 2 1
22 18 21 1
23 18 22 1
24 19 23 1
25 23 24 2
26 20 21 1
27 20 23 1
28 2 22 1
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