| Entry |
|
|---|
| Name |
Otenabant (USAN/INN)
|
|---|
| Formula |
C25H25Cl2N7O
|
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| Exact mass |
509.1498
|
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| Mol weight |
510.4183
|
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| Structure |
     |
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| Activity |
Treatment of obesity
|
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| Target |
cannabinoid receptor 1 (brain) agonist [HSA: 1268] [KO: K04277] |
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| Pathway |
hsa04080 Neuroactive ligand-receptor interaction | |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
cannabinoid receptor 1 [HSA:1268] [KO:K04277]
Otenabant
D09362 Otenabant (USAN/INN)
 |
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| Other DBs |
CAS: 686344-29-6 PubChem: LigandBox: |
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| KCF data |
ATOM 35
1 C8x C 13.5100 -19.2500
2 N5x N 13.5100 -20.6500
3 C8y C 14.7224 -21.3500
4 C8y C 15.9349 -20.6500
5 C8y C 15.9349 -19.2500
6 N5x N 14.7224 -18.5500
7 N5x N 17.2664 -21.0826
8 C8y C 18.0893 -19.9500
9 N4y N 17.2664 -18.8174
10 C8y C 19.4600 -19.9500
11 C8y C 20.1600 -21.1624
12 C8x C 21.5600 -21.1624
13 C8x C 22.2600 -19.9500
14 C8x C 21.5600 -18.7376
15 C8x C 20.1600 -18.7376
16 X Cl 19.4696 -22.3579
17 C8y C 17.6975 -17.4906
18 C8x C 19.0769 -17.1974
19 C8x C 19.5095 -15.8660
20 C8y C 18.5728 -14.8256
21 C8x C 17.1934 -15.1187
22 C8x C 16.7608 -16.4502
23 X Cl 18.9987 -13.5139
24 N1y N 14.7224 -22.7498
25 C1x C 13.4932 -23.4597
26 C1x C 13.4934 -24.8597
27 C1z C 14.7059 -25.5596
28 C1x C 15.9351 -24.8497
29 C1x C 15.9349 -23.4497
30 N1b N 14.0059 -26.7720
31 C5a C 15.4059 -26.7720
32 N1a N 16.8059 -26.7720
33 O5a O 14.8580 -28.1027
34 C1b C 12.6059 -26.7720
35 C1a C 11.8904 -25.5332
BOND 39
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 11 16 1
19 9 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 20 23 1
27 3 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 24 29 1
34 27 30 1
35 27 31 1
36 31 32 1
37 31 33 2
38 30 34 1
39 34 35 1
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