| Entry |
|
|---|
| Name |
Bitopertin (JAN/USAN/INN);
Paliflutine |
|---|
| Formula |
C21H20F7N3O4S
|
|---|
| Exact mass |
543.1063
|
|---|
| Mol weight |
543.46
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsychotic, Glycine transporter inhibitor |
|---|
| Comment |
Treatment of schizophrenia
Treatment of erythropoietic protoporphyria (EPP), including X-linked erythropoietic protoporphyria (XLP)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A9 (GLYT1)
D10186 Bitopertin (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 13.1600 -17.8500
2 C8x C 13.1600 -16.4500
3 C8x C 14.3500 -15.7500
4 C8y C 15.6100 -16.4500
5 C8y C 15.6100 -17.8500
6 C8x C 14.3500 -18.5500
7 S4a S 11.9700 -18.5500
8 C5a C 16.8000 -18.5500
9 N1y N 17.9900 -17.8500
10 C1x C 17.9900 -16.4500
11 C1x C 19.2500 -15.7500
12 N1y N 20.4400 -16.4500
13 C1x C 20.4400 -17.8500
14 C1x C 19.2500 -18.5500
15 C8y C 21.6300 -15.7500
16 N5x N 21.6300 -14.3500
17 C8x C 22.8900 -13.6500
18 C8y C 24.0800 -14.3500
19 C8x C 24.0800 -15.7500
20 C8y C 22.8900 -16.4500
21 C1d C 25.2700 -13.6500
22 X F 25.9700 -14.8400
23 X F 24.5700 -12.4600
24 X F 26.5300 -12.9500
25 X F 22.8900 -17.8500
26 O5a O 16.8000 -19.9500
27 O2a O 16.8000 -15.7500
28 C1c C 16.8000 -14.3500
29 C1a C 10.7576 -19.2500
30 O3c O 11.2700 -17.3376
31 O3c O 12.6700 -19.7624
32 C1d C 18.0124 -13.6500
33 C1a C 15.5876 -13.6500
34 X F 19.2249 -12.9500
35 X F 17.3124 -12.4376
36 X F 18.7124 -14.8624
BOND 38
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 9 14 1
16 12 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 1
25 21 23 1
26 21 24 1
27 20 25 1
28 8 26 2
29 4 27 1
30 27 28 1
31 7 29 1
32 7 30 2
33 7 31 2
34 28 32 1
35 28 33 1 #Up
36 32 34 1
37 32 35 1
38 32 36 1
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|---|
