| Entry |
|
|---|
| Name |
Ompenaclid succinate (USAN) |
|---|
| Formula |
(C4H9N3O2)2. C4H6O4
|
|---|
| Exact mass |
380.1656
|
|---|
| Mol weight |
380.35
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Creatine transporter inhibitor |
|---|
| Comment |
Treatment of relapsed/refractory colorectal cancer
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A8
D12780 Ompenaclid succinate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C2c C 21.0387 -16.3285
2 N1b N 19.7724 -17.0320
3 N1a N 22.2346 -17.0320
4 C1b C 18.5765 -16.3285
5 C1b C 17.3806 -17.0320
6 C6a C 16.1846 -16.3285
7 O6a O 14.9887 -17.0320
8 O6a O 16.1846 -14.9215
9 N2a N 21.0387 -14.9215
10 C6a C 28.8400 -16.2400
11 C1b C 30.0524 -16.9400
12 O6a O 27.6276 -16.9400
13 O6a O 28.8400 -14.8400
14 C1b C 31.2479 -16.2496
15 C6a C 32.4353 -16.9351
16 O6a O 33.6265 -16.2471
17 O6a O 32.4355 -18.3398
18 C2c C 21.0387 -16.3285
19 N1b N 19.7724 -17.0320
20 C1b C 18.5765 -16.3285
21 C1b C 17.3806 -17.0320
22 C6a C 16.1846 -16.3285
23 O6a O 14.9887 -17.0320
24 O6a O 16.1846 -14.9215
25 N1a N 22.2346 -17.0320
26 N2a N 21.0387 -14.9215
BOND 23
1 10 11 1
2 10 12 1
3 10 13 2
4 11 14 1
5 14 15 1
6 15 16 1
7 15 17 2
8 1 2 1
9 1 3 1
10 2 4 1
11 4 5 1
12 5 6 1
13 6 7 1
14 6 8 2
15 1 9 2
16 18 19 1
17 18 25 1
18 19 20 1
19 20 21 1
20 21 22 1
21 22 23 1
22 22 24 2
23 18 26 2
BRACKET 1 13.5800 -18.4100 13.5800 -13.6500
1 24.4300 -13.6500 24.4300 -18.4100
1 2
ORIGINAL 1 1 2 4 5 6 7 8 3 9
REPEAT 1 18 19 20 21 22 23 24 25 26
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|---|
