| Entry |
|
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| Name |
Solabegron hydrochloride (USAN)
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| Formula |
C23H23ClN2O3. HCl
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| Exact mass |
446.1164
|
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| Mol weight |
447.3543
|
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| Structure |
     |
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| Activity |
Antidiabetic [beta adrenoreceptor agonist]
|
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| Target |
beta3-adrenergic receptor agonist [HSA: 155] [KO: K04143] |
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| Pathway |
|
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| Interaction |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta3-adrenergic receptor [HSA:155] [KO:K04143]
Solabegron
D05879 Solabegron hydrochloride (USAN)
 |
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| Other DBs |
CAS: 451470-34-1 PubChem: LigandBox: |
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| KCF data |
ATOM 30
1 C8y C 15.3218 -19.6613
2 C8x C 15.3218 -18.2620
3 C8x C 16.5113 -17.5623
4 C8x C 17.7707 -18.2620
5 C8y C 17.7707 -19.6613
6 C8x C 16.5113 -20.3609
7 X Cl 14.1325 -20.3609
8 C1c C 18.9602 -20.3609
9 C1b C 20.1776 -19.6712
10 N1b N 21.3585 -20.3659
11 C1b C 22.5633 -19.6833
12 C1b C 23.7339 -20.3718
13 N1b N 24.9438 -19.6862
14 C8y C 26.1632 -20.4038
15 O1a O 18.9488 -21.7603
16 C8x C 26.1513 -21.8301
17 C8x C 27.3573 -22.5399
18 C8x C 28.5750 -21.8504
19 C8y C 28.5869 -20.4241
20 C8x C 27.3810 -19.7144
21 C8y C 29.8050 -19.6940
22 C8x C 31.0142 -20.3655
23 C8y C 32.2141 -19.6458
24 C8x C 32.1909 -18.2467
25 C8x C 30.9819 -17.5752
26 C8x C 29.8518 -18.2949
27 C6a C 33.4204 -20.3161
28 O6a O 34.6486 -19.5804
29 O6a O 33.3731 -21.6903
30 X Cl 36.9415 -21.6203
BOND 31
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 1 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 8 15 1 #Down
16 14 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 14 20 1
22 19 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 23 27 1
30 27 28 1
31 27 29 2
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