| Entry |
|
|---|
| Name |
Pyroxamine maleate (USAN) |
|---|
| Formula |
C18H20ClNO. C4H4O4
|
|---|
| Exact mass |
417.1343
|
|---|
| Mol weight |
417.88
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antihistaminic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D05664 Pyroxamine maleate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 7.4900 -18.1300
2 C8x C 7.4900 -19.5300
3 C8x C 8.7024 -20.2300
4 C8x C 9.9149 -19.5300
5 C8y C 9.9149 -18.1300
6 C8x C 8.7024 -17.4300
7 C8x C 12.3397 -19.5300
8 C8y C 12.3397 -18.1300
9 C1c C 11.1273 -17.4300
10 C8x C 13.5522 -20.2300
11 C8y C 14.7646 -19.5300
12 C8x C 14.7646 -18.1300
13 C8x C 13.5522 -17.4300
14 O2a O 11.1273 -16.0300
15 X Cl 15.9811 -20.2323
16 C1y C 12.3418 -15.3288
17 C1x C 13.6029 -15.8905
18 N1y N 14.5268 -14.8646
19 C1x C 13.8366 -13.6689
20 C1x C 12.4862 -13.9558
21 C1a C 15.9490 -14.8748
22 C6a C 23.6085 -17.6962
23 C2b C 22.9334 -16.5315
24 O6a O 23.0089 -18.9364
25 O6a O 24.9591 -17.6899
26 C2b C 21.3165 -16.5377
27 C6a C 20.6475 -17.7085
28 O6a O 19.2969 -17.7085
29 O6a O 21.3290 -18.9425
BOND 30
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 11 15 1
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 20 1
23 18 21 1
24 22 23 1
25 22 24 1
26 22 25 2
27 23 26 2
28 26 27 1
29 27 28 1
30 27 29 2
|
|---|
