| Entry |
|
|---|
| Name |
Alniditan dihydrochloride (USAN) |
|---|
| Formula |
C17H26N4O. 2HCl
|
|---|
| Exact mass |
374.164
|
|---|
| Mol weight |
375.3364
|
|---|
| Structure |
|
|---|
| Class |
Analgesic
DG01484 5-HT1B-receptor agonist
DG01518 5-HT1B/1D-receptor agonist
|
|---|
| Efficacy |
Antimigraine, Serotonin receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
D02826 Alniditan dihydrochloride
DG01518 5-HT1B/1D-receptor agonist
D02826 Alniditan dihydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D02826 Alniditan dihydrochloride (USAN)
HTR1D
D02826 Alniditan dihydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 24
1 C8x C 10.5000 -15.5400
2 C8x C 9.2876 -16.2400
3 C8x C 9.2876 -17.6400
4 C8x C 10.5000 -18.3400
5 C8y C 11.7124 -17.6400
6 C8y C 11.7124 -16.2400
7 C1x C 12.9249 -18.3400
8 C1x C 14.1373 -17.6400
9 C1y C 14.1373 -16.2400
10 O2x O 12.9249 -15.5400
11 N1b N 16.5622 -16.2400
12 C1b C 15.3497 -15.5400
13 C1b C 18.9870 -16.2400
14 C1b C 17.7746 -15.5400
15 N1b N 21.4119 -16.2400
16 C1b C 20.1995 -15.5400
17 N1x N 23.8368 -16.2400
18 C2y C 22.6244 -15.5400
19 C1x C 25.0492 -15.5400
20 C1x C 25.0492 -14.1400
21 C1x C 23.8368 -13.4400
22 N2x N 22.6244 -14.1400
23 X Cl 30.1000 -15.9600
24 X Cl 30.1000 -15.9600
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 1
12 11 12 1
13 13 14 1
14 11 14 1
15 15 16 1
16 13 16 1
17 17 18 1
18 15 18 1
19 9 12 1 #Up
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 18 2
BRACKET 1 28.4900 -16.8000 28.4900 -15.0500
1 31.1500 -15.0500 31.1500 -16.8000
1 2
ORIGINAL 1 24
REPEAT 1 25
|
|---|
