Entry |
|
Name |
Almotriptan (USAN) |
Formula |
C17H25N3O2S
|
Exact mass |
335.1667
|
Mol weight |
335.4643
|
Structure |
|
Simcomp |
|
Class |
|
Remark |
Product (DG00839): | D02825<US> |
|
Efficacy |
Antimigraine, Serotonin receptor agonist |
Comment |
Sumatriptan derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Metabolism |
|
Interaction |
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CC Selective serotonin (5HT1) agonists
N02CC05 Almotriptan
D02824 Almotriptan (USAN)
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
DG00839 Almotriptan
D02824 Almotriptan
DG01485 5-HT1D-receptor agonist
DG00839 Almotriptan
D02824 Almotriptan
DG01518 5-HT1B/1D-receptor agonist
DG00839 Almotriptan
D02824 Almotriptan
DG01943 Triptan
DG00839 Almotriptan
D02824 Almotriptan
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00839 Almotriptan
D02824 Almotriptan
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00839 Almotriptan
D02824 Almotriptan
DG02950 FMO3 substrate
DG00839 Almotriptan
D02824 Almotriptan
DG02917 MAO substrate
DG03178 MAOA substrate
DG00839 Almotriptan
D02824 Almotriptan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D02824 Almotriptan (USAN)
HTR1D
D02824 Almotriptan (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02824
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
DG00839 Almotriptan
DG01485 5-HT1D-receptor agonist
DG00839 Almotriptan
DG01518 5-HT1B/1D-receptor agonist
DG00839 Almotriptan
DG01943 Triptan
DG00839 Almotriptan
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00839 Almotriptan
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00839 Almotriptan
DG02950 FMO3 substrate
DG00839 Almotriptan
DG02917 MAO substrate
DG03178 MAOA substrate
DG00839 Almotriptan
|
Other DBs |
|
KCF data |
ATOM 23
1 C8y C 28.7441 -18.7760
2 C8y C 28.7441 -20.1826
3 C8y C 30.0803 -18.3540
4 C8x C 27.5484 -18.0726
5 N4x N 30.0803 -20.6046
6 C8x C 27.5484 -20.8859
7 C8x C 30.9243 -19.4792
8 C8y C 26.3528 -18.7760
9 C8x C 26.3528 -20.1826
10 C1b C 25.0869 -18.0726
11 S4a S 23.8912 -18.7760
12 O3c O 24.8759 -19.7606
13 O3c O 22.9066 -19.7606
14 N1y N 22.8980 -17.7801
15 C1x C 23.3329 -16.4424
16 C1x C 22.1950 -15.6153
17 C1x C 21.0569 -16.4419
18 C1x C 21.4913 -17.7797
19 C1b C 30.0803 -16.9521
20 C1b C 31.2827 -16.2579
21 N1c N 31.2827 -14.8400
22 C1a C 32.5006 -14.1368
23 C1a C 30.0757 -14.1432
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 6 9 1
9 8 10 1
10 10 11 1
11 11 12 2
12 11 13 2
13 5 7 1
14 8 9 2
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 14 18 1
21 3 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 1
|